American Crystallographic Assn., Inc. 2008 Annual Meeting May 31 - June 5 Knoxville, Tennessee

Local Chair: Jason Hodges Program Chairs: Paul Butler and Dean Myles Local Committee: Bryan Chakoumakos and Al Ekkebus

Exhibitors

Anton Paar Fluidigm Corp. Oxford Diffraction Inc. Area Detector Systems Corp. Formulatrix, Inc. PANalytical Art Robbins Instruments GN Biosystems, Inc. QIAGEN, Inc. Axygen Biosciences Greiner Bio-One Rayonix, LLC Blake Industries, Inc. Hampton Research RCSB Protein Data Bank BRANDEL Incoatec GmbH Rigaku Americas Corp. Bruker AXS, Inc. Korima, Inc. Southeast Regional Collaborative Access CCP4 Marresearch GmbH Team (SER-CAT) Digilab Genomic Solutions Mitegen, LLC TTP Lab Tech Ltd. Douglas Instruments Ltd. Molecular Dimensions, Inc. Wyatt Technology Corp. ESRF - ILL Oak Ridge National Lab XENOCS SA Oxford Cryosystems

Corporate Members

ActiveSight Crystal Logic, Inc. Neuro Probe, Inc. Area Detector Systems Corp. CyBio, Inc. Oxford Cryosystems, Inc. Art Robbins Instruments Douglas Instruments Ltd. Oxford Diffraction Ltd. ATPS, Inc. Emerald Biosystems RCSB Protein Data Bank Axygen Biosciences Fluidigm Corp. Rayonix, LLC Bibliothek Technische Hochschule Formulatrix, Inc. Rigaku Americas Corp. Blake Industries, Inc. Hampton Research Thermo Fischer Scientific Bruker AXS, Inc. Incoatec GmbH TTP Labtech Cambridge Crystallographic Data Center Jena Bioscience GmbH UOV/Biblioteca Universitaria Charles Supper Company, Inc. Korima, Inc. Viscotek Corp. Cryo Industries of America, Inc. Mitegen LLC Wyatt Technology Molecular Dimensions, Inc. XENOX SA

Meeting Sponsors

QUARTZ Sponsorship Levels Pulse Ray SAPPHIRE Quartz $1-$499 Elsevier, Inc. Sapphire $500-$999 DIAMOND Emerald $1000-$2499 Bruker AXS Inc. Ruby $2500-$4999 International Union of Crystallography Diamond $5000-above

RUBY EMERALD Area Detector Systems Corp. Hoffmann-La Roche Inc. Hampton Research Pfizer Global R&D La Jolla Merck Research Laboratories

 SATURDAY, MAY 31 Registration Desk...... Henley Concourse Opening Reception and Exhibit Show..... Exhibit Hall B 07:30pm-10:30pm 07:30am-05:30pm

WK.01 Magnetic Structure WK.02 Neutron Macromolecu- WK.03 Wise Use of Dose: Struc- Analysis by Neutron Diffraction lar Crystallography from ture Solvability vs. Structure Techniques Expression to Refinement Integrity O. Garlea , 301A Leighton Coates, 301B Gerd Rosenbaum, 301C B. Chakoumakos, Presiding Paul Langan , Presiding Zbigniew Dauter, Presiding

08:00-08:30 Introduction. O. Garlea, 08.25-08:30 Welcome. Leighton 08:00-08:10 Welcome and Introduc- ORNL. Coates, ORNL. tion. Gerd Rosenbaum. 08:30-09:45 Introduction to Magnet- 08.30-09:15 Introduction and Protein 08:10-0 8:40 Radiation Damage in ic Diffraction. Application of Group The- Perdeuteration. Kevin Weiss, ORNL. Macromolecular Crystallography: What is ory to Magnetic Structure Determination. tt and Why Do We Care? Elspeth Garman. A.S. Wills, Univ. College London. 09.15-09:50 Optimal Protein Crystal- lization Techniques. Nobuo Niimura, Ibara- Topic 1: How Much Exposure is 10:00-11:00 Spherical Neutron Po- ki. Enough? larimetry in Magnetic Structure Determina- tion. E. Ressouche, CEA. 09.50-10:30 Hydrogen Deuterium 08:40-09:05 How Much Exposure Exchange Patterns. Chris Dealwis, Case is Enough for Anomalous Phasing and Re- 11:00 - 12:00 Polarized Neutron Study Western. fining a Structure at Different Resolutions? of the Magnetization Density Distribution. Zbigniew Dauter, Gerd Rosenbaum. The Flipping Ratio Method. A. Gukasov, 10.30-11:00 Coffee Break. CEA Saclay. Topic 2: Techniques to Reduce Overall 11.00-11:30 Structural Highlight- Dose for Same Final Structure 12:00-01:00 Lunch Break (provided). Joint Refinement of DFPase. Julian Chen, Solving Result Frankfurt. 01:00-02:30 Recent Developments in 09:05-09:30 BEST - A Program for Refinement Techniques. Simulated Anneal- 11.30-12:00 New Neutron Beam- Optimal Data Collection Strategy. Alexan- ing Algorithm with FULLPROF. lines. Christina Hoffman, ORNL. der Popov. J. Rodríguez-Carvajal, ILL. 12.00-12:30 LADI III and D Lab. 09:30-10:00 Coffee Break. 02:30-03:00 Coffee Break. Mathew Blakeley, ILL 10:00-10:30 Panel Discussion on 03:00-06:30 Hand-on Session: Exer- 12.30-01:30 Lunch Break. Benefits of (a) Orienting Crystal for Bijvoet cices. O. Garlea, A. Moreira Dos Santos, B. Pairs on Same Frame and of (b) Re-orient- Chakoumakos. 01.30-1:35 Tutorial Overview. Paul Langan, LANL. ing Crystal During Data Collection over Ro- tation Angle Larger than Required by Sym- 01.35-03:00 nCNS. Marat Mustyaki- metry vs. No Change of Orientation. Panel mov, LANL. Members: Zbyszek Otwinowski, Zbigniew Dauter, TBA. 03.00-03:30 Coffee Break. 10:30-10:55 A Multiple-Data-Set 2 03.30-05:00 phenix.refine. Pavel Afo- Data Collection Strategy for a Better Data nine, LBNL. Set Within a Fixed X-ray Dose. B.C. Wang. 10:55-11:20 Limit of Multiple Data Set Strategy? Does Longer Exposure Time at Same Dose Help? Zbigniew Dauter, Gerd Rosenbaum. 11:20 - 11:35 Is the Multiple Data Set Strategy Valid for Photon Counting Detec- tors? Vincent Olieric. Topic 3: Mitigation of Radiation Damage

11:35-12:00 Scavengers - Do They Help? Role of Cryoprotectant. Elspeth Garman. 12:00-01:00 Lunch Break. 01:00-01:30 Low Temperature - De- crease of Damage in General of Site-Specif- ic Damage Only? Speaker TBA.

 SATURDAY, MAY 31, continued

01:30-01:50 Computational - Intelligent Extraction of WK.04 Structural Biology without Crystals: Small Signals. Zbyszek Otwinowski. Small-Angle Scattering Methods Susan Krueger, Volker Urban, Presiding 301D 01:50 - 02:15 RADDOSE - Be Aware of What Your Solvent Adds to the Dose. Elspeth Garman. 08:30-08:45 Welcome and Introduction. Topic 4: Reduction of Background Noise for Better I/σ(I) 08:45-09:30 Introduction to Small-Angle Scattering (SAS). P. Thiyagarajan, ANL. 02:15-02:40 Optics and Sample Induced Background vs. Scattering Angle. Randy Alkire. 09:30-10:15 Correct Use of Modeling Software for SAS Data. Dmitri Svergun, EMBL 02:40-03:10 Coffee Break. 10:15-10:45 Coffee Break. 03:10 - 03:35 Detector Distance - Beam Spot Size and Sam- ple Induced Spot Size vs. Mosaicity and Scattering Angle. Zbig- 10:45-11:30 Labeling and Contrast Variation. Susan Krueger, niew Dauter, Gerd Rosenbaum. NIST & Kevin Weiss, ORNL. 03:35-04:00 Detector Induced Noise - Advantage of Pho- 11:30 -12:00 Recent Advances in Time-Resolved SAS. Theyen- ton Counting Detector Pilatus 6M over analog CCD detectors. cheri Narayanan, ESRF. Vincent Olieric. 12:00-12:30 State-of-the-Art Grazing Incidence SAS. Byeong- Topic 5: Optimal Choice of Wavelength du Lee, APS. 04:00-04:25 Radiation Damage For Same Statistical Sig- 12:30-2:00 Lunch Break. nificance of Measured Diffraction Intensities vs. Absorbed Dose at Different Wavelength - A Few Observations - But No System- 02:00-02:45 Introduction to Reflectometry. Chuck Majkrzak, atic Study To Date. Gerd Rosenbaum. NIST. Topic 6: Minibeams 02:45 -03:30 Correct Use of Modeling Software for Reflectom- etry Data. Paul Kienzle, UMD/NIST. 04:25-04:50 Reduced Absorbed Dose With Micrometer Size Beams Robert Fischetti, Ruslan Sanishvili. 03:30-04:00 Coffee Break. 04:50-05:20 Take Home Lesson Panel Discussion. Mod- 04:00-04:30 Phase-Inversion Neutron Reflectometry Methods. erator Zbigniew Dauter. Ursula Perez-Salas, ANL. 04:30-05:00 Recent Advances in Reflectometry Techniques for Studying Membrane Proteins. Frank Heinrich, CMU/NIST. 05:00-05:30 Discussion and Wrap Up: What are the Next Ho- rizons for Neutron and X-ray Scattering in Biology?

2008 Margaret C. Etter Student Lecturer Awards

Each Special Interest Group (SIG) within the ACA has the opportunity to select one student to receive an award and to present a lecture in one of the sessions organized by that SIG. Selections are based upon submitted abstracts and are independent of whether the student presenter originally requested an oral or poster presentation. Award winners are determined by the elected officers of the SIGs. Students who are selected will receive a monetary award of $250 and a certificate.

Congratulations to this year’s winners:

Biological Macromolecules...... Alexey Amunts, Tel Aviv University, Isreal...... 01.03.05 Fiber Diffraction...... Olga Antipova, Illinois Institute of Technology...... 02.01.06 Neutron Scattering...... Matthew Hudson, Syracuse University ...... 06.01.06 Small Angle Scattering...... Karen Mulfort, Northwestern University ...... 13.08.06 Small Molecules...... Clare Yannette, Georgetown University ...... 13.10.06 Synchrotron Radiation...... Sterling Cornaby, Cornell University ...... 13.14.03 Materials Science...... Xuerong Liu, University of California, San Diego...... 13.15.05 Powder Diffraction...... Daniel Mitchell, University of Tennessee,...... 13.15.06 Young Scientist...... Aruna Shankaranarayanan,University of Michigan...... AW.01.05

 SUNDAY, JUNE 1 Opening Ceremony...... 08:00am-08:30am...... Ballroom C Registration Desk...... 07:30am-05:30pm...... Henley Concourse Exhibit Show...... 10:00am- 04:30pm...... Exhbiit Hall B Speaker Ready Room...... 07:30am-05:30pm...... 301A Rigaku Luncheon...... 12:00PM Council Meeting Room...... 07:30am-05:30pm...... Rontunda Poster Session I...... 04:30pm-06:30pm...... Exhibit Hall B Tour to Oak Ridge Lab...... 06:00pm busses begin loading

Opening Ceremony and Welcome 08:00am Ballroom C Marvin Hackert, ACA President, Presiding

01.01 New Structures Solid-state NMR and the Strong Hydrogen 09:30-10:00 09.01.03 David Giedroc, Ballroom C Bond. Gerard S. Harbison, Jun Zhou, Composite Polymer-nanoparticles Aggre- Mark Wilson, Presiding Xingang Zhao. gates in Mixed Complex Systems Seen by Small Angle Neutron Scattering. Franaois 08:30-09:00 01.01.01 10:00-10:30 Coffee Break. Boue, Fabrice Cousin, Jeremie Gummel, 4-Amino-5-hydroxymethyl-2-methyl- Chloe Chevigny, Nicolas Jouault, Sophie pyrimidine Phosphate Synthase is a Novel 10:30-11:00 06.01.04 Lorrain, Sebastien Alexandre, Gwanall Member of the Radical SAM Superfamily. Quantum Wavepacket ab initio Molecular Bourget, Jacques Jestin. Steve Ealick. Dynamics: An Approach for Computing Dynamically Averaged Vibrational Prop- 10:00-10:30 Coffee Break. 09:00-09:30 01.01.02 erties Including Critical Nuclear Quantum Capturing Hammerhead Ribozyme Struc- Effects. Srinivasan Iyengar. 10:30-11:00 09.01.04 tures in Action by Altering the Rate of Ca- Nanoscale Structure and Dynamics of talysis. Young-In Chi, Monika Matrick, Ro- 11:00-11:30 06.01.05 Self-assembling Soft Matter Probed salind Kim, William Scott, Sung-Hou Kim. Deep Inelastic Neutron Scattering by Synchrotron SAXS. Theyencheri Measurements of Born-Oppenheimer Narayanan, Drazen Zanchi, Anuj Shukla, 09:30-10:00 01.01.03 Potentials and the Dynamics of Hydrogen Thomas Weiss, Michael Gradzielski. Activation of the Interferon Regulatory Fac- Bonds. George Reiter. tors: Crystal Structure of Dimeric IRF-5. 11:00-11:30 09.01.05 William Royer, Weijun Chen, Suvana Lam, 11:30-11:45 06.01.06 SANS and SAXS Characterization of Hema Srinath, Celia Schiffer, Kai Lin. Single Crystal Neutron Diffraction and Block Copolymer/Bioinspired Mineral Inelastic Neutron Scattering Spectroscopy Nanocomposite Gels. Pappannan Thiya- 10:00-10:30 Coffee Break. of Proton Conductor Lithium Hydrazinium garajan, Umai Kanapathipillai, Surya Sulfate. Matthew Hudson, Paula M.B. Mallapragada. 10:30-11:00 01.01.04 Piccoli, Arthur J. Schultz, Bruce S. Hudson. Structure and Mechanism of a Metal Sens- 11:30-11:50 09.01.06 ing Regulatory RNA. Arati Ramesh, Cath- 11:45-12:00 06.01.07 Characterization of Proteins Entrapped erine Wakeman, Charles Dann, Wade Win- Neutron Diffraction Structure of a Discrete in Sol-Gel Materials using Small Angle kler. Dichloride Hexahydrate Cube as a Tris(diis Neutron Scattering. Hugh O’Neill, Guang- opropylamino)cyclopropenium Salt. Paula ming Luo, Volker Urban, Qiu Zhang, Del 11:00-11:30 01.01.05 Piccoli, Arthur Schultz, Owen Curnow, Castillo Alexis Rae. Structure Determination of a Substrate- James Butchard, David Garrett, Robert channeling Proline Catabolic Enzyme using Maclagan. 11:50-12:10 09.01.07 Deviant Crystals. Jack Tanner. Understanding Shear Induced Collapse of 12:00-12:05 Concluding remarks. Entropically Stabilized Lamellar Phases. 11:30-12:00 01.01.06 Paul Butler, Vera Stoppelkamp, Lionel Structural Mimicry and Ribosome Manip- Porcar, William Hamilton. ulation by a Viral RNA. Jeffrey Kieft, Da- vid Costantino, Jennifer Pfingsten, Amanda 09.01 Understanding the Keel. Nano-scale Using Small Angle Scattering 13.01 Incommensurate and 06.01 Structure and Dynamics of Greg Beaucage, 301B Modulated Structures Hydrogen Bonded Systems Ken Littrell, Presiding Lee Daniels, Presiding 301C Bruce Hudson, 301DE Tom Koetzle, Presiding 08:30-09:00 09.01.01 08:25-08:25 Welcome and Introduc- Dynamics and Thermodynamics at tion. Lee Daniels. 08:25-08:30 Introduction. the Nanoscale. Michael Mackay, Erin McGarrity, Phillip Duxbury, Amalie Frisch- 08:25-08:50 13.01.01 08:30-09:00 06.01.01 knecht, Anish Tuteja, R.S. Krishnan, Jon Introduction to Modulated Structures. Lee Neutron Diffraction Studies of Hydrogen Kiel, Jon Seppala, Erica Tseng. Daniels, Christer Svensson. Bonded Systems: An Overview. Thomas F. Koetzle. 09:00-09:30 09.01.02 08:50-09:15 13.01.02 New Insight into Hierarchical Structures Crystallographic Computing System 09:00-09:30 06.01.02 of Carbon Black Dispersed in Polymer Jana2006. Michal Dusek, Vaclav Petricek, Complementary Single-crystal X-ray Matrices: A Combined Small-angle Scat- Lukas Palatinus. Diffraction and Neutron Powder-diffraction tering Study. Tadanori Koga, Takeji Studies of Hydrogen-bonded Small- Hashimoto, Mikihito Takenaka, Kazuya 09:15-09:40 13.01.03 molecule Systems at High Pressure. D.R. Aizawa, Naoya Amino, Masao Nakamura. New Software Tools for Indexing and Allan. Processing of Modulated Structures. Michael Ruf, Marilyn Olmstead, Trixie 09:30-10:00 06.01.03 Wagner, Andreas Schönleber.  SUNDAY, JUNE 1, continued

09:40-10:05 13.01.04 04:30-05:00 09.02.06 13.03 Structural Biology in Neu- Generating and Visualizing One-dimen- Comparison of Relaxation Dynamics in rological Disorders sional Incommensurate Structural Modula- Saturated and Unsaturated Oriented Lipid Ruslan Sanishvili, 301DE tions. Branton J. Campbell, Harold T. Bilayers. Hirsh Nanda, Victoria Garcia- Gergely Toth, Presiding Stokes. Sakai, Susan Krueger, Joseph E. Curtis. 01:20-01:30 Introduction: Inaugural 10:05-10:30 Coffee Break. Session on Neurological Disorders. Ruslan Sanishvili. 10:30-10:55 13.01.05 13.02 Solid State Transforma- There and Back Again: A Crystallographer’s tions and Reactions 01:30-02:00 13.03.01 Tale of Modulated Protein Crystals. Jeffrey Gracelia Diaz de Delgado, 301C Structural Neurology: A New Approach J. Lovelace, Jason C. Porta, Gloria E.O. Marilyn Olmstead, Presiding to the Understanding, Treatment and Borgstahl. Prevention of Neurologic Disorders. 01:30-02:00 13.02.01 Gregory A. Petsko, Dagmar Ringe. 10:55-11:20 13.01.06 Concomitant Polymorphism and Twinning Predicting Possible Modulated Phases in the of Dichloro-bis(η5-tert-butylcyclopenatadie 02:00-02:30 13.03.02 Layered Perovskite-like A2BX4 Structures of nyl)titanium(IV). Ilia Guzei, Hakon Hope, Crystal Structure of JNK3 in the DFG Loop Propylammnonium Tetracholormetallates. Amitabha Mitra. Out Conformation. Gergely Toth, Scott Ian Swainson. Lovell, Hidong Kim, Jing Wu, Kyle Powell, 02:00-02:30 13.02.02 Hing Sham, Irene Griswold-Prenner. 11:20-11:45 13.01.07 The Syntax, Chemistry and Crystallography Disordered and Modulated Vanadium Oxide of Solid-state Reactions in Molecular 02:30-03:00 13.03.03 Structures. Peter Zavalij. Crystals: Visiting the Past to Understand the From Folding on Ribosomes to Misfolding Present. Bruce M. Foxman. of Alpha-synuclein in Parkinson’s Disease: 11:45-12:10 13.01.08 Insights from NMR Spectroscopy. John Study of Structure-propriety Relationship in 02:30-03:00 13.02.03 Christodoulou. Novel Inorganic Compounds with Disorder Novel Supramolecular Approaches to and/or Long Range Order. Olivier Gourdon, Design Photoreactive Multi-component 03:00-03:30 Coffee Break. Delphine Gout, Gordon J. Miller, Thomas Assemblies: From Single to Concomitant Proffen, Eric Bauer, Joe D. Thompson. Topochemical [2+2] Photoreactions. 03:30-04:00 13.03.04 Alexander Briceno Villarreal. Structural Insights Into Neuronal Transporters. Paul Shaffer, Eric Gouax. 09.02 Macromolecular Dynamics 03:00-03:30 Coffee Break. Joseph Curtis, 301B 04:00-04:30 13.03.05 Alec Sandy, Presiding 03:30-04:00 13.02.04 Structures of Synaptic Proteins Neuroligin-1 Characterisation of Solid-state Structural and the Neuroligin-1/Neurexin-1β Complex 01:30-02:00 09.02.01 Phase Transitions. Ross Angel, Eleda Reveal Specific Protein-protein and Protein- The Impact of Collective Molecular Johnson, Jing Zhao, Fabrizio Nestola. Ca2+ Interactions. Demet Arac, Antony Dynamics on Physiological and Biological A. Boucard, Engin Ozkan, Pavel Strop, Functionalities of Artificial and Biological 04:00-04:30 13.02.05 Evan Newell, Thomas C. Sudhof, Axel T. Membranes. Maikel Rheinstadter. Isotopic H/D Structural Phase Transition Brunger. in Ammonium Copper Tutton Salt. Arthur 02:00-02:30 09.02.02 Schultz, Paula Piccoli, Michael Hitchman, 04:30-05:00 13.03.06 XPCS Studies of Nanoparticle Motion Charles Simmons. Clinical and Pre-clinical Evaluation of Struc- within Glassy Polymer Melts. Robert ture Based Phenylketonuria Therapeutics. Leheny, Hongyu Guo, Gilles Bourret, 04:30-05:00 13.02.06 Raymond Stevens. R. Bruce Lennox, Mark Sutton, James Competitive Isomerization and Dimerization Harden. Reactions: A New Look at Stereochemical Requirements for [2+2] Addition. Shao- 02:30-03:00 09.02.03 Liang Zheng, Oanh Pham, Cris Vande Dynamics of Threadlike Micelles Studied Velde, Milan Gembicky, Philip Coppens. by Neutron Spin Echo. Dobrin Bossev, Wei-Ren Chen, Paul Butler, Lee Magid. 03:00-03:30 Coffee Break. 03:30-04:00 09.02.04 Protein Dynamics in the Crystalline State. Jeremy Smith. 04:00-04:30 09.02.05 Dynamical Coupling Between Hydration Water and Proteins: A Comparison of Membrane and Soluble Proteins. Kathleen Wood, Douglas Tobias, Giuseppe Zaccai, Martin Weik.  MONDAY, JUNE 2 Industrial SIG Meeting...... 05:00pm...... 301B Rigaku Fun Run...... 07:15am...... World’s Fair Park Small Molecule SIG Meeting...... 05:00pm...... Ballroom C Registration Desk...... 07:30am-05:30pm...... Henley Concourse Neutron/Powder/Matls SIG...... 12:00pm...... 301C Speaker Ready Room...... 07:30am-05:30pm...... 301A Poster Session II...... 05:30pm-07:30pm...... Exhibit Hall B Young Scientist Mixer...... 07:30-10:30pm...... Sunsphere Council Meeting Room...... 07:30am-05:30pm...... Rontunda (ticket required) Exhibit Show...... 10:00am-07:30pm...... Exhibit Hall B Bruker AXS Party (by invitation only) 07:30-10:30pm BioMac SIG Meeting...... 12:00pm...... Ballroom C

TR.01 Complementary Meth- 09:30-10:00 01.02.03 Structure-Based Drug Design Targeted at ods for Structure/Function It All Happens at Once - Magnitude MAPKAP Kinase-2. Ravi Kurumbail, Studies of Biomolecules Estimation of Uncertainty Components. N. Caspers, H.-S. Shieh, W. Stallings, G. Dominika Borek, Marcin Cymborowski, Poda, J. Pawlitz, R. Broadus, M. Meyers, D. Susan Krueger, 301DE Wladek Minor, Zbyszek Otwinowski. Anderson, R. Mourey, T. Stults, S. Bolten, Carrie Wilmot, Presiding R. Weinberg. Part I - Redox Chemistry and Associated 10:00-10:30 Coffee Break. Single Crystal Spectroscopies 10:50-11:10 04.01.07 10:30-11:00 01.02.04 Overcoming Protein Expression, Pur- 08:30-09:10 TR.01.01 Phasing in Spite of Complications, and ification and Crystallization Obstacles in In Crystallo UV-visible Spectroscopy. Sometimes Thanks to the Complications. Support of Structure-Based Drug Design Dominique Bourgeois. Gerard Bricogne. in Industry. Melissa Harris, W. Brown, S. Foltin, J. Knafels, L. McDowell, J. Ohren, D. 09:10-09:35 TR.01.02 11:00-11:30 01.02.05 Omecinsky, Y. Xhu, R. Sarver, B. Finzel. Photoreduction of Metalloprotein Active Juggling With Space Groups: Structure Sites by Synchrotron Radiation. Britt of a Fragment of the Streptococcus 11:10-11:30 04.01.08 Hedman, Mary C. Corbett, Matthew mutans Adhesin Antigen I/II. Champion Crystallography as a Screening Tool: J. Latimer, Thomas L. Poulos, Irina F. Deiganayagam. Challenges of Fragment Based Drug Sevrioukova, Keith O. Hodgson. Discovery. John Spurlino, Frank Lewan- 11:30-12:00 01.02.06 dowski, Cindy Milligan, Carsten Schubert, 09:35-10:00 TR.01.03 Macromolecular Crystal Structures In- Marta Abad, Richard Alexander. XANES Measurments of the Rate of volving Non-Merohedral Twinning and/ Radiation Damage to Selenomethionine or Non-Crystallographic Translation. 11:30-12:00 Round Table Discussion Side Chains. James Holton. Kanagalaghatta Rajashankar. 10:00-10:30 Coffee Break. 13.04 Diffraction Studies of Part II - Neutron Methods 04.01 Challenges in Industrial Correlated Electron Systems Crystallography Andrey Zheludev, Presiding 301C 10:30-11:00 TR.01.04 Jeff Bell, 301B Dynamics of Soluble and Membrane Tim Rydel, Presiding 08:30-09:15 13.04.01 Proteins and their Surroundings. Douglas Magnetically Induced Ferroelectricity in Tobias. 08:30-08:50 04.01.01 Frustrated Quantum Magnets. Michel Crystal Structure of Synthetic Hydro- Kenzelmann. 11:00-11:30 TR.01.05 tungstite, WO2(OH)2(H2O). James Kaduk, Neutron Protein Crystallography. Judith Sentman. 09:15-10:00 13.04.02 Leighton Coates. Interplay Between the Short-Range 08:50-09:10 04.01.02 Polar Order and Low-Frequency Lattice 11:30-12:00 TR.01.06 Electron Crystallography in Petroleum Dynamics in Relaxor Ferroelectrices. P.M. Neutron Diffraction Studies of Mem- Industrial Research. Douglas Dorset. Gehring, C. Stock, G. Xu, W. Chen, Z.-G. branes and Membrane Proteins as 09:10-09:30 04.01.03 Ye, H. Cao, J.-F. Li, D. Viehland, H. Luo. Multilayers. David Worcester, Ella Charge Flipping Approach to Inorganic Mihailescu, Stephen White. 10:00-10:30 Coffee Break. Structures from Powder Data. Scott 12:00-01:30 Lunch Break. Misture. 10:30-11:00 13.04.03 Spin and Charge/orbital Ordering in Nearly Session continues after lunch at 01:30 09:30-09:50 04.01.04 Half-doped Manganites. Jaime Fernandez- 2D-XRPD, a Powerful Tool for the Baca. Understanding of Various Defects in Sorel 01.02 Engage Your Brain Cements. Robert Dinnebier, Kunihisa 11:00-11:30 13.04.04 Sugimoto, Thomas Schlecht. Short-range Charge and Spin Superlattices Raj Rajashankar, Ballroom C Zbigniew Dauter, Presiding in Layered Perovskite Oxides. Igor 09:50-10:10 04.01.05 Zaliznyak, Andrei Savici, Genda Gu, Hideki Chemical Crystallography as a Routine 08:30-09:00 01.02.01 Yoshizawa, Naoki Sakiyama, Ying Chen, Analytical Tool for Preparative Chemists. Hye Jung Kang. Data Collection - Not Enough to Press the Charles Campana, Bruce Becker, Stephen Button. Zbigniew Dauter. Leo, Greg Wachter, J. Kaercher, M. Ruf. 11:30-12:00 13.04.05 Three Dimensional Magnetic Correlations 09:00-09:30 01.02.02 10:10-10:30 Coffee Break. Likelihood, Parameter Estimation, and in LuFe2O4. A.D. Christianson, M.D. Lums- Decision Making in Macromolecular 10:30-10:50 04.01.06 den, M. Angst, Z. Yamani, W. Tian, R. Jin, Crystallography. Charles Carter. Trials and Tribulations in Pursuit of S.E. Nagler, B.C. Sales, D. Mandrus.  MONDAY, JUNE 2, continued

TR.01 Complementary Meth- 13.05 Modern Teaching Tools for 04:35-05:00 13.06.06 ods for Structure/Function 21st Century Science Hydrogen Bonding and Multiphonon Studies of Biomolecules Thomas Proffen, Ballroom C Structure in Copper Pyrazine Coordination Bernhard Rupp, Presiding Polymers. J.L. Musfeldt, S. Brown, M.M. Susan Krueger, 301DE Conner, A.C. McConnell, H.I. Southerland, Carrie Wilmot, Presiding 01:30-02:00 13.05.01 J.L. Manson, J.A. Schlueter, M.D. Phillips, Educating Virtual APS Users: On- M.M. Turnbull, C.P. Landee. Part III - Small Angle Scattering line Educational Materials for Powder 01:30-02:10 TR.01.07 Diffraction Crystallography. Brian Toby. Combining High-Resolution Structures 02:00-02:30 13.05.02 13.07 Professional Directions with Small-Angle Scattering and Neutron Crystallography and Scientific Inquiry. Bobby Huether, Presiding 301B Contrast Variation Data for Studying Bernhard Rupp. 01:30-5:00 of Protein Complexes in Solution. Jill Trewhella. 02:30-03:00 13.05.03 The “Professional Directions” session, An Interactive Tutorial to Teach Diffraction organized by the Young Scientist and 02:10-02:35 TR.01.08 Physics Related to Crystal Structure Service Special Interest Groups, will provide Real-time Small-Angle X-ray Scattering Determination. Reinhard Neder. an informal opportunity for young scientists Study of Assembly and Disassembly to interact with established scientists and Cycles of Cyanobacterial Circadian 03:00-03:30 Coffee Break. discuss career-related issues. The panel will Clock Proteins. Shuji Akiyama. be convened to discuss current opportunities 03:30-04:00 13.05.04 for young scientists in both traditional and 02:35-03:00 TR.01.09 Exploiting Advances in Cyberinfrastructure Use of SAXS to Interrogate a Known non-traditional scientific professions, and to Provide Practical Experience in Crystal- is aimed at graduate students, post-doctoral Crystal Structure as a Basis for Modeling lography. K.A. Kantardjieff. the HIV Defense Factor APOBEC3G. fellows, and young professors. The goal of the session is to provide young scientists Joseph E. Wedekind, Jason D. Salter, 04:00-04:30 13.05.05 both with a current snapshot of a “day in Ryan P. Bennett, Jolanta Krucinska, The Interactive Lectures for the School & the life” of a professional scientist, and Richard E. Gillilan, Harold C. Smith. College Instructors. Boris Kodess, Pavel also an opportunity to provide practical Kodess, Felix Sidoreko, Petr Kodes, Polina information for graduate students and 03:00-03:30 Coffee Break. Kodess. post-doctoral candidates undecided as to Part IV - Dynamics and Function their career path. The panel members are (NMR/crystallography) 13.06 Molecular Magnets Gregory Petsko (Brandeis University), David Rose (University of Toronto), Jane Jamie Manson, Presiding 03:30-04:00 TR.01.10 301C Richardson (Duke University), and Jeanette Trapping an Invisible DNA Repair Inter- Krause (University of Cincinnati). All are 01:30-02:05 13.06.01 mediate for NMR and Crystallography. welcome to attend and contribute to the Molecule-based Magnets: New Chemistry James Stivers. conversation! and New Materials for this Millennium. 04:00-04:30 TR.01.11 Joel Miller. Merging Crystallography and Spectroscopy to Define Docking at the 02:05-02:40 13.06.02 Proteasome via Rpn13. Kylie Walters. The Role of Halide-Halide Exchange Coupling in Low Dimensional Copper 04:30-05:00 TR.01.12 Halide Quantum Magnetic Systems. Roger Structural Aspects of HIV-1 Entry Willett. Using NMR, X-ray Crystallography and Docking Techniques. Carole Bewley, 02:40-03:00 13.06.03 [4x4] Grids by Designed Self-Assembly: Son Lam, Chih-Chin Huang, Priyamvada II II II II Acharya, Syed Hussan, Peter Kwong. Mn 16, Cu 16, Co 16 and Ni 16 Magneto- structural Investigations. Louise Dawe, Laurence Thompson. 03:00-03:30 Coffee Break. 03:30-04:05 13.06.04 Hydrogen-Bonding and Exchange in Benzimidazole-Functionalized Organic Radical Solids. Paul Lahti. 04:05-04:35 13.06.05 Hydrogen Bond Mediated Magnetic Superexchange: Deuterium Isotope Effect

in CuF2(H2O)2(pyrazine). John Schlueter, Kylee Funk, Jamie Manson, Sonal Brown, Janice Musfeldt.  TUESDAY, JUNE 3 SAS SIG Mtg...... 12:00pm...... 301C Registration Desk...... 07:30am-05:30pm...... Henley Concourse Fiber SIG Meeting...... 04:40pm...... 301B Speaker Ready Room...... 07:30am-05:30pm...... 301A Service SIG Meeting...... 05:00pm...... 301DE Council Meeting Room...... 07:30am-05:30pm...... Rontunda Poster Session III...... 05:30pm-07:30pm...... Exhibit Hall B Exhibit Show...... 10:00am-07:30pm...... Exhibit Hall B Rayonix Party...... 07:30pm-12:00am Synchrotron SIG Meeting...... 12:00pm...... 301DE Mentor/Mentee Dinner...... 07:30-10:30pm...... Calhoun’s (ticket required) ...... 400 Neyland Dr. Canadian Div. Meeting...... 12:00pm...... 301B 01.03 Difficult Structures 09:30-10:00 13.08.03 11:00-11:30 13.09.05 Tom Smith, Ballroom C In-situ Combined GISAXS and TPR New X-ray Scattering Opportunities With Dinesh Yernool, Presiding Studies of Size Selected Nanocatalysts: A an Upgraded Advanced Photon Source. New Approach to Investigate Size Effects in Dennis M. Mills. 08:30-08:55 01.03.01 Catalysis. Sungsik Lee, Yu Lei, Byeongdu X-ray Structure of the Zinc Transporter YiiP. Lee, Randall Winans, Kristian Sell, Ingo 11:30-12:00 13.09.06 Min Lu, Dax Fu. Barke, A. Kleibert, Viola von Oyenhausen, Bigger, Better, Faster, More: The ESRF Karl-Heinz Meiwes-Broer, S. Vajda. Upgrade Programme. Edward Mitchell, on 08:55-09:20 01.03.02 Behalf of the ESRF. Crystal Structure of the Maltose Transporter. 10:00-10:30 Coffee Break. Jue Chen, Michael Oldham, Dheeraj Khare, Session continues after lunch @ 01:30pm Florante Quiocho, Amy Davidson. 10:30-11:00 13.08.04 Combining WAXS/(SAXS) with Spectro- 09:20-09:45 01.03.03 scopic Measurements to Follow Catalysts in 13.10 Supramolecular Chemis- A Virus Structure Determined at 3.8Å with Action. Andrew Beale, Bert Weckhuysen. try: Organic Crystals from Less Than one Third of the Data Reveals Assembly to Function Evolution in Action. Jeffrey A. Speir, D. J. 11:00-11:30 13.08.05 Jennifer Swift, Presiding 301C Taylor, F.M. Pringle, L. Andrew Ball, J.E. Watching Nanoparticles Grow: The Mechan- Johnson. ism and Kinetics for the Formation of TiO2- 08:30-08:40 Introduction. Supported Platinum Nanoparticles. Karena 09:45-10:10 01.03.04 Chapman, Peter Chupas, Guy Jennings, 08:40-09:20 13.10.01 Hybrid LRR Technique and Crystal Struc- Peter Lee, Clare Grey. More about Eligio Perucca, Primo Levi, tures of the Toll-like Receptor Complexes. Induced Optical Activity, and Enantio- Jie-Oh Lee. 11:30-12:00 13.08.06 selective Adsorption to Crystals. Bart Kahr, Solution Phase X-ray Scattering: Structural Yonghong Bing, John Freudenthal, Werner 10:10-10:40 Coffee Break. Characterization of Supramolecular Por- Kaminsky, Davide Viterbo. phyrin Assemblies. Karen Mulfort, Suk 10:40-11:05 01.03.05 Joong Lee, David Tiede, Joseph Hupp. 09:20-09:40 13.10.02 A Plant Photosystem I Design in the Light Correlation of Biomineral Crystal Growth of Evolution. Alexey Amunts, Omri Drory, Modification with Impurity Adsorption Nathan Nelson. Kinetics. Ryan Sours, Randall Mazzarino, 13.09 Emerging Opportunities Tissa Thomas. 11:05-11:30 01.03.06 for X-ray and Neutron Scattering: Structure Determination of S Riboswitch mk New Sources & New Techniques 09:40-10:00 13.10.03 via Microcrystallography. Changrui Lu, Ken Herwig, 301DE Surface and Microwave Methods for the Kanagalaghatta Rajashankar, Fang Ding, Bob Sweet, Presiding Selection of Pharmaceutical Polymorphs. Tina Henkin, Ailong Ke. Venkat R. Thalladi. 08:30-09:00 13.09.01 11:30-11:55 01.03.07 Synchrotron Science at SLAC/Stanford - 10:00-10:30 Coffee Break. Structure of a β 1 Adrenergic Receptor: the LCLS and Other Recent Developments. Progress in Obtaining Recombinant G Keith Hodgson. 10:30-11:10 13.10.04 Protein Coupled Receptor Structures. What do Polymorphs Teach us About Gebhard Schertler. 09:00-09:30 13.09.02 Crystal Nucleation and Growth? Lian Yu, Coherence and Ultra-short Pulses for Jing Tao, Sun Ye, Hanmi Xi, Shuang Chen, Structure Determination: New Storage Ring Jun Huang, Mark Ediger. 13.08 Catalysis Studies using and FEL Facilities at DESY in Hamburg; SAXS and High Energy Petra-III, FLASH, and XFEL. Jochen 11:10-11:50 13.10.05 Scattering with PDF Schneider. Cross-nucleation and Polymorph Selection: Peter Chupas, 301B Unravelling the Competition Between Randall Winans, Presiding 09:30-10:00 13.09.03 Kinetics and Thermodynamics. Jerome No Abstract. Steve Dierker Delhommelle, Caroline Desgranges. 08:30-09:00 13.08.01 10:00-10:30 Coffee Break. Resonant X-ray PDF Studies of Catalytic 11:50-12:10 13.10.06 Gold Nano-Particles. Takeshi Egami, Wojtek An in situ Atomic Force Microscopy Study 10:30-11:00 13.09.04 Dmowski, Sheng Dai, Steve Overbury. of Monosodium Urate Crystal Growth. Serial Crystallography for the Cornell ERL. Clare M. Yannette, Jennifer A. Swift. 09:00-09:30 13.08.02 John Spence, Bruce Doak, Uwe Weierstall, In situ Grazing Incidence Small Angle X-ray Kevin Schmidt, Petra Fromme, Daniel De Session continues after lunch @ 01:40pm Scattering: An Advanced Characterization Ponte, Richard Kirian, Mark Hunter, Henry Technique for Catalyst Surfaces. Christine Chapman, David Shapiro. Revenant, F. Leroy, G. Renaud, R. Lazzari, A. Letoublon, T. Madey.  TUESDAY, JUNE 3, continued 01.04 Structural Enzymology Fiber Diffraction and Cryo-electron Micro- 03:00-03:30 Coffee Break. Allen Orville, Ballroom C scopy Applied to Filamentous Viruses. Gerald Carrie Wilmot, Presiding Stubbs, Amy Kendall, Wen Bian, Michele 03:30-04:00 13.09.10 McDonald, Sarah Baumgarten, Timothy Two Novel Reflectometers for the Expanded 01:30-01:55 01.04.01 Bowles, Jian Shi, Phoebe Stewart. NCNR Cold Neutron Guide Hall: CANDoR Insights into Blue-light Photorecptors - How and MAGIk. Brian B. Maranville, Charles to BLUF. Ilme Schlichting. 02:00-02:20 02.01.02 Majkrzak, Norman Berk. Polyproline Changes Threshold Poly- 01:55-02:15 01.04.02 glutamine Length in Fibril Formation. Greg 04:00-04:30 13.09.11 CoA As Catalyst: A Detailed Study of Darnell, Joseph Orgel, Stephen Meredith. Recent Developments at the ISIS Facility. Hydride Transfer in HMG-CoA Reductase. Richard M. Ibberson. C. Nicklaus Steussy, C.J. Duncan, T. Schmidt, 02:20-03:00 02.01.03 L.V. Wrensford, J.W. Brugner, V. W. Rodwell, Studies of Amyloid and Amyloid-related 04:30-04:45 13.09.12 C.V. Stauffacher. Structures in Natural Fibres and Virus-derived Time Resolved Atomic-Resolution Laue Peptide Sequences. V. Trevor Forsyth, S. Studies at the AR Ring at KEK. Mateusz 02:15-02:40 01.04.03 Tiggelaar, E. Mossou, M. Kasotakis, P. Pitak, Milan Gembicky, Shao-Liang Zheng, Structures of Cytochrome c Oxidase Reveal a Callow, K. Gardner, R. Denny, E. Mitchell, Philip Coppens, Marc Messerschmidt, Shin- Conformational Change upon Reduction and A. Mitraki. Ichi Adachi, Shin-Ya Koshihara. a Steroid Binding Site, Both Impacting the K Proton Path. Shelagh Ferguson-Miller, L. 03:00-03:30 Coffee Break. 04:45-05:00 13.09.13 Qin, D. A. Mills, C. Hiser, R.M. Garavito. Macromolecular Powder Diffraction: 03:30-03:50 02.01.04 Structure Solution via Molecular Replace- 02:40-03:00 01.04.04 Iota-carrageenan: A Paradigm of Cation ment. Jennifer Doebbler, Robert Von Dreele. Structure Based Enzymology of the Dependent Polymorphism, Pseudopoly- Formation of Several Intermediates from morphism and Molecular Heterogeneity. Rengaswami Chandrasekaran, Srinivas the Thiamin Biosynthetic Enzyme Thi4 in 13.10 Supramolecular Chemistry: Saccharomyces cerevisiae. Christopher Janaswamy. Jurgenson, Abhishek Chatterjee, Amrita Organic Crystals from Assembly Hazra, Frank Schroeder, Ying Han, Tadhg 03:50-04:20 02.01.05 to Function Begley, Steven Ealick. Molecular Structure, Ligand Binding and Jennifer Swift, Presiding 301C Collagenolysis of the Native Type I Collagen 03:00-03:30 Coffee Break. Fibril. Joseph Orgel, James San Antonio, 1:40-02:20 13.10.07 Shawn Sweeney, Rong Wang, Shiamalee Reaction Crystallization Mechanisms for 03:30-03:55 01.04.05 Perumal, Olga Antipova. Screening and Synthesis of Cocrystals. Nair An Interlocked Dimer of the Protelomerase Rodriguez-Hornedo, Sarah Nehm, Adivaraha TelK Distorts DNA Structure for the 04:20-04:40 02.01.06 Jayasankar, D. Good, L. Sreenivas Reddy. Formation of Hairpin Telomeres. Tom Molecular Structure of the Native Type II Ellenberger. Collagen Fibril. Olga Antipova, Kalpana 02:20-02:40 13.10.08 Ramakrishnan, Dengli Qiu, Rong Wang, Polymorphism and Isomer Cocrystals 03:55-04:15 01.04.06 Joseph Orgel. of Dimers of Phenylpropiolyl Chloride. Insight into the Mechanism of the Cofactor- Raymond E. Davis, Vincent M. Lynch. less Urate Oxidase: X-ray Structures with 04:40 Fiber Diffraction SIG Meeting. Molecular Oxygen and with the Dehydrourate 02:40-03:00 13.10.09 Intermediate. Nathalie Colloc’h, Laure An Unexpected Co-Crystal with a Variable Gabison, Guillaume Marassio, Jacques 13.09 Emerging Opportunities Degree of Order: 1:1 rac-1,2-Cyclohexanediol/ Abraini, Mohamed Chiadmi, Thierry Prange. for X-ray and Neutron Scattering: Triphenylphosphine Oxide. Carolyn Brock, New Sources & New Techniques Maxime A. Siegler, Yigang Fu, Greg H. 04:15-04:40 01.04.07 Simpson, Daniel P. King, Sean Parkin. Ken Herwig, 301DE Ruffling of Metalloporphyrins Bound to the Bob Sweet, Presiding Heme Degrading Enzymes IsdG and IsdI. 03:00-03:30 Coffee Break. Michael Murphy, Woo Cheol Lee, Georgi 01:30-02:00 13.09.07 Ukpabi, Michelle Reniere, Eric Skaar. 03:30-04:10 13.10.10 Facilities for X-ray Scattering, Diffraction, A Thermodynamic Understanding of the 04:40-05:00 01.04.08 and Crystallography at the Canadian Light Stability of Co-Crystals. Matthew Peterson, Observation of a Flavin-C4a-Oxygen Inter- Source. Michel Fodje. Mark Oliveira, Roger Davey. mediate by Crystallographic, Spectroscopic, 02:00-02:30 13.09.08 04:10-04:30 13.10.11 and Computational Methods. Allen Orville, DIAMOND: Diffraction and Many Other Rajeev Prabhakar, George Lountos, Steffan Managing Supramolecular Assemblies using New Directions for UK Science. Elizabeth Molecular Shape. Kraig Wheeler. Finnegan, Giovanni Gadda. Duke. 04:30-05:10 13.10.12 02.01 Fiber Diffraction & Friends 02:30-03:00 13.09.09 Formation and Characterization of Polymer- Neutron Scattering Opportunities at ORNL's (compl. Neut/X-ray + EM, SAS, etc) Reinforced Porous Single Crystals. Lara New and Upgraded Neutron Facilities: The Estroff, Hanying Li, Miki Kunitake. Joseph Orgel, 301B Spallation Neutron Source and High Flux Gerald Stubbs, Presiding Isotope Reactor. Kenneth Herwig. Session continues Wednesday at 01:40pm 01:30-02:00 02.01.01  WEDNESDAY, JUNE 4 Young Scientist SIG Meeting...... 12:00pm...... 301DE Registration Desk...... 07:30am-05:30pm..... Henley Concourse ACA All Member Business Meeting...... 05:00pm...... Ballroom C Speaker Ready Room.....07:30am-05:30pm..... 301A Awards Banquet ...... Convention Center Cash Bar 6:30pm...... Dinner 07:30pm (ticket required ) Council Meeting Room....07:30am-05:30pm..... Rontunda

AW.01 Etter Early Career 01.05 Computational Crystallogra- Chrzas, John Rose, Bi-Cheng Wang. phy - Nuts and Bolts Award Symposium 11:00-11:30 03.01.04 Anna Gardberg, Presiding Acknowledgement is made to Area Detector Systems, Corp. for partial 301DE support of this session New Optics for Macromolecular Crystal- Ed Collins, Ballroom C lography. Kris Tesh, A. Criswell, L. Jiang, B. 08:30-08:35 Presentation of Award Peter Horanyi, Presiding Simpson, B. Verman, C. Yang, J. Ferrara. to Radu Custelcean. Marvin Hackert, ACA President. 08:30-09:00 01.05.01 11:30-12:00 03.01.05 Macromolecular Crystal Diffraction Data Automating Crystallography (somewhat) from 08:35-09:15 AW.01.01 Collection: Opinions about Best Practices. James Start to Finish. Joel Bard, Mark Johnson, Manipulating Hydrogen Bonds in Pflugrath. Kristine Svenson, Erik Vogan, Kevin Parris, Crystalline Solids: From Etter’s Rules to Lydia Mosyak, Will Somers. Anion Recognition. Radu Custelcean. 09:00-09:30 01.05.02 Introduction to Experimental Phasing of 13.11 Biological Applications of 09:15-09:30 AW.01.02 Macromolecules. George M. Sheldrick. SAXS and SANS Crystal Growth of Bis-Diphenyl Ureas on William Heller, 301C Silica Templates. Christina A. Capacci, 09:30-10:00 01.05.03 Greg Hura, Presiding Jennifer A. Swift. Tools for Easy and Difficult Problems: Automation of Structure Determination. Thomas Terwilliger. 08:00-08:30 13.11.01 09:30-09:45 AW.01.03 Small Angle Scattering Studies of Cationic Synthesis of Materials in the AA'W O 3 12 10:00-10:30 Coffee Break. Driven Folding of RNA. Robert Briber, Family using a Non-Hydrolytic Sol-Gel S. Moghaddam, J.-H. Roh, G. Caliskan, S. Process. Tamam Baiz, Cora Lind. 10:30-11:00 01.05.04 Chauhan, R. Behrouzi, D. Thirumalai. S. Paul Emsley. 09:45-10:00 AW.01.04 Woodson. Adventures in Fullerene Crystallography: 11:00-11:30 01.05.05 08:30-09:00 13.11.02 A Basketful of Egg-shaped Fullerenes and Using Local Validation to Improve Your Structure Combining Small Angle Scattering and a Glimpse of What May Come. Christine and Streamline its Completion. David Richardson, NMR Restraints for Structural Refinement of M. Beavers, Marilyn M. Olmstead, Jane Richardson. Marcomolecular Complexes in Solution. Frank Christopher J. Chancellor, Alan L. Balch. 11:30-11:45 01.05.06 Gabel. 10:00-10:30 Coffee Break. Some Effects of Experimental Error on 09:00-09:30 13.11.03 Substructure Determination. Hongliang Xu, Analyzing Flexible Proteins Using Small 10:30-10:35 Presentation of Etter Charles M. Weeks. Student Lecturer Award to Aruna Shanka- Angle X-ray Scattering. Efstratios Mylonas, ranarayanan,Univ. of Michigan. 11:45-12:00 01.05.07 Pau Bernado, Maxim Petoukhov, Dmitri I. Incorporating Stereochemical Restraints in a Svergun. 10:35-11:00 AW.01.05 Resolution Dependent Manner. Dale Tronrud. Structural Insights into the Activation of 09:30-10:00 13.11.04 RhoA by G Coupled Receptors. Aruna 03.01 General Interest I Biological Small Angle Scattering/Diffraction q Facility Beamline 4-2 at SSRL. Thomas M. Shankaranarayanan, Susanne Lutz, Allen Oliver, Presiding 301B Cassandra Coco, Marc Ridilla, Mark R. Weiss, Marc Niebuhr, Ping Liu, Hiro Tsuruta. Nance, Christiane Vettel, Doris Baltus, 08:30-09:00 03.01.06 10:00-10:30 Coffee Break. Richard R. Neubig, Thomas Wieland, Synthesis, Structures, Morphologies and Op- John Tesmer. tical Properties of Some New Chiral Thiocar- 10:30-11:00 13.11.05 bamates and Thioureas. Werner Kaminsky, D. Resolution of the Unfolded State. Gregory 11:00-11:20 AW.01.06 Responte, D. Daranciang, J. Gallegos. Beaucage. Cholix Toxin, a Novel ADP-ribosylating Factor from Vibrio cholerae. Rene 09:00-09:30 03.01.01 11:00-11:30 13.11.06 Jorgensen, Alexandra E. Purdy, Robert J. Two Men and a Genome: A Poor Man's Approach SAXS Validation of Molecular Dynamics and Fieldhouse, Matthew S. Kimber, Douglas to Structural Genomics. Joseph D. Ng, Ronny C. Docking Based Conformational Sampling. H. Bartlett, A. Rod Merrill. Hughes, Miranda L. Byrne, Damien Marsic. Michal Hammel, Kenneth Frankel, Martin Pelikan, R. Rambo, G. Hura, John Tainer. 11:20-11:40 AW.01.07 09:30-10:00 03.01.02 A New Detergent System for Membrane Selenium Derivatization of Nucleic Acids for 11:30-12:00 13.11.07 Protein Crystallization: 1.4 Å Crystal Phasing and Crystallization in Crystallography. Molecular Envelopes from SAXS and Single- Structure of the Membrane Protein PagP Zhen Huang, Jiansheng Jiang, Jia Sheng, Nicolas Molecule Diffraction Experiments at an XFEL. in SDS/MPD. Jose Antonio Cuesta-Seijo, Carrasco. Dilano Saldin, Valentin Shneerson, Russell Gilbert Prive. Fung, Abbas Ourmazd. 10:00-10:30 Coffee Break. 11:40-12:00 AW.01.08 12:00-12:30 13.11.08 α 10:30-11:00 03.01.03 ER -Glucosidase I: Expression, Pur- Crystallographic and Small Angle Scattering An Example of Successful Sulfur SAS Phasing ification, and Preliminary Crystal- Studies of the Bacteriophage T4 Replication using Medium-Resolution Data: Crystal Struc- lography. Megan Barker, David Rose. Complex. Jennifer Hinerman, Leif Hanson, ture of Archaeoglobus fulgidus ORF 1382. Jin- Timothy Mueser. Yi Zhu, Z-Q. Fu, Lirong Chen, Hao Xu, John 10 WEDNESDAY, JUNE 4, continued

AW.02 Patterson Award 02:30-03:00 01.06.03 04:30-04:50 13.10.18 Advances in Macromolecular Statistical Evaluation of the Rodin-Ohno Crystallisation Methods for the Synthesis of Hypothesis: Sense/Antisense Coding of Coordination Polymer Complexes. Elinor Phasing & their Impact to Ancestral Class I and II Aminoacyl-tRNA Spencer, Judith Howard. Structural Biology Synthetases. G. Gurkan Yardimci. Gary Newton, 301DE 04:50-05:10 13.10.19 John Rose, Presiding - 03:00-03:30 Coffee Break. Hydrolysis of PF6 as a Route to Uranium Phosphates. Nicholas Deifel, K. Travis 01:30-01:35 Presentation of Award 03:30-04:00 01.06.04 Holman, Christopher L. Cahill. to Bi-Cheng Wang. Marvin Hackert, Crystal Structure of an Ancient Protein: ACA President Evolution by Architectural Epistasis. Eric Ortlund, Jamie Bridgham, Joseph Thornton, 01:35-02:20 AW.02.01 Matthew Redinbo. 13.12 Powder Challenges: Resolution of Phase Ambiguity in Structures Under Nonambient Macromolecular Crystallography: 25 04:00-04:30 01.06.05 Conditions Years Later. Bi-Cheng Wang. Enzymological Characterization of the Chris Tulk, Presiding 301B TrpRS Minimal Catalytic Domain. Yen 02:20-02:45 AW.02.02 Pham, Charles Carter. 01:30-02:15 13.12.01 Evolution of Phase Evaluation from Electron Density at High Pressure From MAD and SAD Measurements. Wayne 04:30-05:00 01.06.06 Maximum Entropy. John Tse. A. Hendrickson. The Structural Basis of Ribozyme-Catalyzed RNA Assembly. Michael P. Robertson, 02:15-03:00 13.12.02 02:45-03:10 AW.02.03 William G. Scott. Structural Changes in Nano-crystalline Wang Limit. Zbyszek Dauter. Mackinawite (n-FeS) at High-pressure. Lars Ehm, Marc Michel, Sytle Antao, Peter 03:10-03:30 Coffee Break. 13.10 Supramolecular Chemis- Chupas, Peter Lee, David Martin, Sarvjit Shastri, John Parise. 03:30-03:55 AW.02.04 try: Organic Crystals from S and Cr, the Power Couple Next Door. Assembly to Function 03:00-03:30 Coffee Break. Emil F. Pai, Yan Liu, Aiping Dong. Jennifer Swift, Presiding 301C 03:30-03:50 13.12.03 03:55-04:20 AW.02.05 01:40-02:20 13.10.13 Guest Atom Disorder in sII and sH Krypton Neutron Direct Methods: Have Structure Serendipity in Drug Development: Dis- Clathrate Hydrates. Bryan Chakoumakos, Applications Involving Neutrons Come of covery and Development of Stable Ling Yang, D.D. Klug, C.A. Tulk, D. Martin, Age? David Langs, Herbert Hauptman. Crystalline Forms of Active Pharmaceutical Lars Ehm, J.B. Parise. Ingredients. Narayan Variankaval. 04:20-04:45 AW.02.06 03:50-04:10 13.12.04 Direct Methods and Solvent Flattening. 02:20-02:40 13.10.14 A New Hexagonal Phase for Pressure- Hai-fu Fan. Structure and Thermal Behavior of Metal Quenched Xe Clathrate Hydrate. L. Yang, 04:45-05:10 AW.02.07 Citraconates. Graciela Díaz de Delgado, C. A. Tulk, D.D. Klug, L. Ehm, D. Martin, Molecular Machines, Tropical Diseases Teresa González, Alexander Briceño. B.C. Chakoumakos, J.J. Molaison, J.B. Parise. and the Power of llamas. Wim G. J. Hol. 02:40-03:00 13.10.15 05:10-05:35 AW.02.08 Structural and Magnetic Properties of 04:10-04:40 13.12.05 [Cu(HF (pyrazine) ]SbF and a Defect- High Energy X-ray Diffraction from The First de novo Structure Determinations 2) 2 6 rich Analog [Cu F(HF)(HF )(pyrazine) ](S Aerodynamically Levitated Silicate Melts. using Wang’s ISAS Technique. John 2 2 4 bF ) . Jamie Manson, Heather Southerland, Chris Benmore, Martin Wilding, Richard Rose. 6 2 Brendan Twamley, John Schlueter, Kylee Weber, Qiang Mei. Funk. 01.06 Systematic Molecular Anatomy, Structural Phylogeny, 03:00-03:30 Coffee Break. and Evolution Charlie Carter, Ballroom C 03:30-04:10 13.10.16 Bill Duax, Presiding Architectural Diversity and Elastic Networks in Hydrogen-bonded Host Frameworks: 01:30-02:00 01.06.01 From Molecular Jaws to Cylinders to Building a Structural Phylogeny of the Embedded Capsules. Michael Ward. All Member SCOR Binding Pocket. Robert Huether, Business Meeting Vladimir Pletnev, Timothy Umland, Charles 04:10-04:30 13.10.17 Ballroom C M. Weeks, Sanjay Connare, W. Duax. Metallosupramolecular Achitectures Based at 05:00pm on Metal(II)-betadiketonates and Small 02:00-02:30 01.06.02 Polyfunctional Molecules as Building Combining Protein Sequence and X- Blocks. Nenad Judaš. Ray Structure to Trace 3 Billion Years of Molecular Evolution. W. Duax, E. Huether, V. Pletnev, S. Connare. 11 THURSDAY, JUNE 5 Registration Desk...... 07:30am-03:30pm..... Henley Concourse Council Meeting Room....07:30am-05:30pm..... Rontunda Speaker Ready Room.....07:30am-03:30pm..... 301A

01.07 How Structures are Used 09:50-10:30 Coffee Break. 11:40-12:00 13.13.07 by Others Structure of a Fluorous Metal-Organic Eric Bennett, Ballroom C 10:30-10:50 10.01.05 Framework with High Gas Storage Roland Dunbrack, Presiding Structural Studies of Lanthanide Binolate Capacities. Xiaoping Wang, Chi Yang, Complexes Important as Catalysts in Mohammad A. Omary. 08:30-09:15 01.07.01 Asymmetric Synthesis. Patrick Carroll. What Do Other People Want from Your 10:50-11:10 10.01.06 Crystal Structure? Jane Richardson, David 13.14 Microcrystals Richardson. Complex Packing Motifs Encountered in a Beta-cylcodextin/adamantine Inclusion Richard Gillilan, 301DE Ruslan Sanishvili, Presiding 09:15-10:00 01.07.02 Compound. Gary Enright, Konstantin Statistical Analysis of Protein Structures: Udachin, John Ripmeester. 08:15-08:30 Introduction: The State Electron Density, Conformational Analysis, of Microcrystallography. Richard Gillilan. and Protein-protein Interfaces. Roland 11:10-11:30 10.01.07 Dunbrack, Maxim Shapovalov, Qifang Xu, New Hosts for Fullerenes. Marilyn Olmstead, Jimmy Franco, Justin Hammons. 08:30-09:00 13.14.01 Daniel Ting, Michael Jordan. in situ Study of Nanotemplate-Induced Growth of Protein Microcrystals by 10:00-10:30 Coffee Break. 11:30-11:50 10.01.08 Crystal Packing in the Thiirane-based Submicron GISAXS. Claudio Nicolini, 10:30-11:00 01.07.03 Gelatinase Inhibitor (S)-4-(4-(thiiran-2-yl- Sailish Tripathi, Eugenia Pechkova. Dramatic Changes of Protein Structure in methylsulfonyl)phenoxy)phenyl Methane- 09:00-09:30 13.14.02 Evolution. Nick Grishin. sulfonate, a System with Z’=6. Bruce C. Noll, Mijoon Lee, Dusan Hesek, Mayland High Resolution Electron Dffraction of 3D 11:00-11:30 01.07.04 Chang, Shahriar Mobashery. Protein and Pharmaceutical Nano-crystals. Sampling Slow Conformational Switches J.P. Abrahams, D. Georgieva, H.W. in Proteins. Donald Hamelberg, J. Andrew Zandbergen, S. Nicolopoulos, J. Portillio. McCammon. 13.13 Materials for Energy 09:30-10:00 13.14.03 11:30-12:00 01.07.05 Applications Recording Data from Multiple Protein Computational Prediction of Structures Craig Brown, 301B Microcrystals Using Laue Diffraction. of Protein Complexes and Multi-domain Jason Hodges, Presiding Sterling Cornaby, David Schuller, Doletha Proteins. Jeffrey Gray. M. E. Szebenyi, Detlef Smilgies, Quan Hao, 08:30-09:10 13.13.01 Donald Bilderback. The Prediction of Structure and Properties for Rechargeable Li Battery Electrode 10:00-10:30 Coffee Break. 10.01 Cool Structures Materials. Gerbrand Ceder. Allen Oliver, Presiding 301C 10:30-11:00 13.14.04 09:10-09:35 13.13.02 A Dedicated Tuneable Microfocus Beamline 08:30-08:50 10.01.01 Bulk Materials for Thermoelectric Power at Diamond Light Source: Prospects for Using X-ray and Neutron Diffraction to Generation. Michael McGuire. Microcrystallography on Membrane Pro- Study Complexes of Cyanuric Acid with teins. Gwyndaf Evans, Armin Wagner. Group I Metals: Neutron Crystallography 09:35-10:00 13.13.03 from an X-ray Perspective. Gary Nichol, Structural Aspects of Coordination Polymers 11:00-11:30 13.14.05 William Clegg, Matthias Gutmann, Duncan for Gas Storage. Craig Brown, Yun Liu, Protein Crystallography with a Micrometre- Tooke. Dan Neumann. sized Synchrotron-radiation Beam. Gebhard Schertler. 08:50-09:10 10.01.02 10:00-10:30 Coffee Break. Novel Cationic Copper Coordination 11:30-12:00 13.14.06 Networks Constructed from 4, 4’-Bis- 10:30-10:55 13.13.04 Can Radiation Damage be Reduced with imidazolybiphenyl Ligand. Liangming Hu, Temperature and Pressure Dependent a 1-Micron Beam? Robert F. Fischetti, Elinor Spencer, Carla Slebodnick, Brian Structural Changes of MIL-53, A Potential Ruslan Sanishvili, Derek Yoder, Stefan Hanson. H2 Storage Material. Jae-Hyuk Her, Yun Vogt, Gerold Rosenbaum, V. Nagarajan, M. Liu, Craig Brown, Dan Neumann, Anne Becker, S. Xu, J.L. Smith 09:10-09:30 10.01.03 Dailly. Pressure Induced Coordination Changes in K-Co-Oxomolybdates. Jens Michael 10:55-11:20 13.13.05 Engel, Hans Ahsbahs, Helmut Ehrenberg, Methane Storage in Nanoporous Metal- Hartmut Fuess. Organic Frameworks and Novel Phase Transition of Confined Methane. Hui Wu. 09:30-09:50 10.01.04 Structural Variation within Homo- and 11:20-11:40 13.13.06 Heterometallic Uranium(VI) Phos- Crystal Chemistry, Crystallography, and phonocarboxylates. Karah E. Knope, Thermoelectric Properties of Compounds Christopher L. Cahill. in the Ca-Sr-Co-O System. W. Wong-Ng, G. Liu, E. Thomas, M. Otani, N. Lowhorn, J.A. Kaduk. 12 THURSDAY, JUNE 5, continued

01.08 Practical Approaches to 02:30-03:00 03.02.03 NaNbO3 by Neutron PDF. Daniel Mitchell, Improving the Formation and Small X-ray Beams for Small Crystals: Wojciech Dmowski, Thomas Proffen, Diffraction-quality of Protein Pushing the Limits of Home-lab X-ray Takeshi Egami. Crystals Sources. Jorg Wiesmann, Jorgen Graf, George DeTitta, Ballroom C Carsten Michaelsen, Thomas Schulz, Dietmar Stalke. Joe Luft, Presiding 13.16 Time Resolved Scattering 03:00-03:30 Coffee Break. P. Thiyagarajan, 301C 01:30-02:00 01.08.01 Vukica Srajer, Presiding Target Evaluation Coupled with Salvage 03:30-04:00 03.02.04 Pathways to Increase Success Rates for Cluster Analysis in Crystallography. Chris 01:30-02:00 13.16.01 Protein Production & Crystallization. I.an Gilmore, Gordon Barr, Wei Dong, Andy Structural Dynamics of Myoblobin A. Wilson. Parkin, Chick Wilson. Investigated by Time-resolved Laue 02:00-02:30 01.08.02 Crystallography. Dominique Bourgeois. 04:00-04:30 03.02.05 The Importance of Nucleation and Seeding Anomalous Dispersion for Dummies. Carla 02:00-02:30 13.16.02 in Protein Crystallization Case Studies using Slebodnick. Time Resolved Small Angle X-ray Microseed Matrix Seeding. Allan D’Arcy, Scattering Study of Protein Folding. Satoshi Frederic Villard. 04:30-05:00 03.02.06 Takahashi, Tsuyoshi Konuma, Yuji Goto, A Comparison of Bayesian and Flack 02:30-03:00 01.08.03 Tetsuro Fujisawa. Parameter Approaches for Organic Absolute Order from Chaos - The Design and Structure Determination. Ian D. Williams, 02:30-03:00 13.16.05 Interpretation of High-throughput Crystal- Herman H-Y. Sung. Time-Resolved Solution X-ray Scattering lization Screens to Guide Optimization. Studies on the Allosteric Transition of E. coli Edward Snell, Ray Nagel, Joseph Luft, Aspartate Transcarbamoylase. Hiro Tsuruta, Ann Wojtaszczyk, Meriem Said, Jennifer Jiarong Xia, Wenyue Guo, Elizabeth O’Day, Wolfley, M. Elizabeth Snell, Melvin Parker, 13.15 Diffuse Scattering Studies Evan Kantrowitz. George DeTitta. of Local Structure in the Solid State 03:00-03:30 Coffee Break. 03:00-03:30 Coffee Break. Branton Campbell, 301DE Thomas Proffen, Presiding 03:30-04:00 13.16.04 03:30-04:00 01.08.04 The Z- to E- Isomerization in Biliproteins. Screening for New Ligands; A Key to 01:30-02:00 13.15.01 Marius Schmidt, Anamika Patel, Wolfgang Higher Protein Crystallization Success Rate. Reuter. Masoud Vedadi, Abdellah Allali-Hassani, Interplay of Spin-orbital-charge and Lattice Guillermo Senisterra, G. Wasney, P. Finerty, Degrees of Freedom in Cobaltites. Despina Louca. 04:00-04:30 13.16.03 A. Edwards, C. Arrowsmith. The Kinetics and Mechanisms of Pressure- Jump Induced Phase Transitions of 04:00-04:30 01.08.05 02:00-02:30 13.15.02 Diffuse Scattering Studies of Local Structure Lyotropic Lipid Mesophases and Proteins. Solubility Screen to Improve Crystallization Roland Winter. Trials and a Two Step Approach to in Crystals with Precipitates. Rozaliya Barabash, Gene Ice. Uncoupling Crystal Condition Searches. 04:30-05:00 13.16.06 Timothy Mueser, Aude Izaac, Raj Gosavi, 02:30-03:00 13.15.03 Sub-nanosecond Intermediate of PYP Constance Schall. Study of the Local Distortions of RETe3 Photocycle Captured by Time-Resolved X- (RE=rare earth) in the Charge-density-wave ray Crystallography. Hyotcherl Ihee, Yang 04:30-05:00 01.08.06 Ouk Jung. Macromolecular Crystal Annealing: State using the Atomic Pair Distribution Function Analysis. H.J. Kim, E.S. Bozin, Updat-ing Techniques and Understanding 05:00-05:30 13.16.07 Variables. Leif Hanson, Unmesh Chinte, S.J.L. Billinge, C.D. Malliakas, M.G. Kanatzidis, Th. Proffen. Time-Resolved Methods for Fiber Binal Shah, Raj Gosavi, Jennifer Hinerman, Diffraction of Muscle. Tom Irving. Constance Schall. 03:00-03:30 Coffee Break. 03.02 General Interest II 03:30-04:00 13.15.04 Peter Müller, 301B The Null-Matrix Method Applied to a NiPt Allen Oliver, Presiding Alloy. J.A. Rodriguez, S.C. Moss, J.L. Robertson, J.R.D. Copley, D.A. Neumann, 01:30-02:00 03.02.01 J. Major. FRIDAY, JUNE 6 In Pursuit of the Trouble-Free Photon: Low 2009 Toronto Meeting Maintenance, High Brilliance X-ray Sources 04:00-04:30 13.15.05 for the Home Lab. Matthew Benning, Anita X-ray Diffuse Scattering Study of Nano- Planning Session Coetzee, Arjen Storm, Bram Schierbeek. scale Lattice Modulation in YBa2Cu3O7-x. Xuerong Liu, Zahirul Islam, Sunil Sinha, 08:30am 301A 02:00-02:30 03.02.02 Simon Moss, Jonathan Lang, Ulrich Welp. Translational and Rotational Calibration of Stationary Area Detectors. Joerg Kaercher, 04:30-05:00 13.15.06 Michael Ruf. Local Structure of Complex Phases of 13 2008 EXHIBIT SHOW Saturday, May 31, 07:30pm-10:30pm Monday, June 2, 10:00am-07:30pm Show and Opening Reception Show and Poster Session II

Sunday, June 1, 10:00am-06:30pm Tuesday, June 3, 10:00am-07:30pm Show and Poster Session I Show and Poster Session III

Anton Paar...... 115 Fluidigm Corp...... 208,210 Oxford Diffraction Inc...... 211 Area Detector Systems Corp...... 309,311 Formulatrix, Inc...... 300,302 PANalytical...... 111 Art Robbins Instruments...... 100,102 GN Biosystems, Inc...... 511 QIAGEN, Inc...... 109 Axygen Biosciences...... 201 Greiner Bio-One...... 408 Rayonix, L.L.C...... 411 Blake Industries, Inc...... 214 Hampton Research...... 315 RCSB Protein Data Bank ...... 500 BRANDEL ...... 407 Incoatec GmbH ...... 405 Rigaku...... 101 Bruker AXS Inc...... 301 Korima Inc...... 203 Southeast Regional Collaborative CCP4 ...... 502 Marresearch GmbH...... 504 Access Team (SER-CAT) ...... 506 Digilab Genomic Solutions...... 104,106 Mitegen, LLC...... 205 TTP Lab Tech Ltd...... 304 Douglas Instruments Ltd ...... 513 Molecular Dimensions Inc...... 515 Wyatt Technology Corp...... 401 ESRF - ILL...... 108,110 Oak Ridge National Lab...... 114 XENOCS SA ...... 414 Oxford Cryosystems...... 509

14    

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15 Notes

16 POSTERS POSTER SESSIONS Posters beginning with S will present in Poster Session I, on Sunday, June 1, 04:30pm - 06:30pm Posters beginning with M will present in Poster Session II, on Monday, June 2, 05:30pm - 07:30pm Posters beginning with T will present in Poster Session III, on Monday, June 3, 05:30pm - 07:30pm All posters should be assembled before 04:30pm on Sunday and removed at the end of the poster session on Tuesday at 07:30pm. Please be present at your poster during the entire time on the day to which you are assigned.

MP001 NSLS. D.K. Schneider, A. Heroux, A.M. TP019 The PSI Structural Genomics Know- Orville, H.H. Robinson, A.M. Saxena, A. SCrALS-Service Crystallography at the ledgebase. Helen M. Berman, Paul Soares, R.M. Sweet, L. Berman. Advanced Light Source: A Collaborative Adams, Andras Fiser, Adam Godzik, Access Project for Chemical Crystal- Andrei Kouranov, Rajesh Nair, Christine SP011 lography. Jeanette Krause, Allen Oliver. Orengo, Burkhard Rost, Wendy Tao, Racemic Polymorphs of 2- Torsten Schwede, Raship Shah, John [Methyl(pheny1) amino]nicotinic Acid. SP020 Westbrook. Sihui Long, Sean Parkin, Maxime Siegler, Temperature Induced Phase Carolyn Brock, Tonglei Li. Transformations in Relaxor Ferroelectrics SP002 Lead Scandium Tantalate and Ba-doped Crystal Structure of the Heterotrimer TP012 Lead Scandium Tantalate. Bernd Maier, Core of the S. cerevisiae AMPK Homolog Low Resolution SAXS Study of Human Boriana Mihailova, Carsten Paulmann, SNF1. Michael Rudolph, Gabe Amodeo, FEZ1: A Natively Unfolded Protein. Thomas Malcherek, Joerg Ihringer, Liang Tong. Julio Cesar Silva, Daniel Lanza, Eliana Martin Gospodinov, Rainer Stosch, Bernd Assmann, Alexandre Quaresma, Gustavo Guettler, Ulrich Bismayer. TP003 Bressan, Jorg Kobarg, Iris Torriani. Formylglycinamide Ribonucleotide MP021 MP013 Structural Investigation of the Mechanism Amido-transferase from Thermotoga Applications of High Throughput maritima: Structural Insights into the of Human Brain Aspartoacylase. Johanne Solution X-ray Scattering (SXS). Greg Le Coq, Radhika Malik, Ronald Viola. Complex Formation. Mariya Morar, Hura, Michal Hammel, Robert Rambo, Steven Ealick. Shelley Claridge, Angeli Mennon, Paul TP022 Alivisatos, Mike Adams, John Tainer. New Developments for Neutron and X- MP004 Ray Diffraction Studies at RT of Type Instantly Identify Protein Crystals. G. MP015 III AntiFreeze Protein. Andre Mitschler, Ra-vich, Vu Tran. Determining the Telomere-Binding Matthew Blakeley, Isabelle Haertlein, Proper-ties of Glyceraldehyde-3- Michael Haertlein, Christian Mueller- SP005 Phosphate Dehy-drogenase (GAPDH). A Single-crystalline Photoreactive Dickmann, Alexander Popov, Eduardo Neil Demarse, John Baatz, Eleanor Spicer, Howard, Alberto Podjarny. Cocrystal with a Rectangular Cross- Besim Ogretmen, Chistopher Davies. section. Dejan-Kresimir Bucar, Leonard SP023 R. MacGillivray. SP016 Surface Characterization of Uric Acid New Protein Fold Revealed by a MP006 Crystals by Chemical Force Microscopy. 1.65Å Resolution Crystal Structure of Janeth Presores, Jennifer Swift. SAS Analysis in 2D and the DANSE Francisella tularensis Pathogenicity project. Mathieu Doucet, Paul Butler. Island Protein Iglc. Ping Sun, Brian TP024 TP007 Austin, Florian Schubot, David Waugh. Detergent-associated Solution Conforma- Nitrile-Halogen Contacts in Benzylidene- tions of Membrane Proteins Studied by TP017 Small-angle X-ray Scattering. William anilines Revisited: The Influence of the Structure of the Hypothetical Protein Substitution Pattern. W.H. Ojala, K.M. Heller, Yiming Mo, Byung-Kwon Lee, PF0899 from Pyrococcus furiosus at 1.85 Jeffrey Becker. Lystad, J.M. Spude, B.C. MacQueen. Å Resolution. M. Gary Newton, L.L.C. SP008 Kelley, B. Dillard, W. Tempel, L. Chen, MP025 A New Class of Organic Ligands Based N. Shaw, D. Lee, F. Sugar, F. Jenney Independence of U2AF Activity on on Cyclobutane: Design, Total Synthesis Jr., H.-S. Lee, C. Shaw, F. Poole, III, M. Interdomain Linker Composition. and Applications Thereof. Dejan- Adams, J. Richardson, D. Richardson, Z.- Jermaine Jenkins, Haihong Shen, Michael Kresimir Bucar, Quanli Chu, Phoung V. J. Liu, B.-C. Wang, J. Rose. Green, Clara Kielkopf. Dau, Stacy C. Sommerfeld, Claude L. MP018 SP26 Mertzenich, Leonard R. MacGillivray. The Mode of Binding of Nitrogen New Neutron Beamlines. C. Hoffmann. Containing Bisphosphonates in Farnesyl MP009 MP027 Molecular Basis of Passive Pyrophosphate Synthase. Bobby Barnett, James Dunford, Mark Lundy, X. Dao, Motion Control of the Iron-sulfur-protein Immunotherapy of Alzheimer’s Disease. in bc1 Complex from Rhodobacter Chris Dealwis, Anna S. Gardberg. Artem Evdokimov, Marlene Meckel, Richard Walter, X. Song, R. Boeckman, sphaeroides. Lothar Esser, Maria Elberry, TP010 F. Ebetino. Chang-An Yu, Linda Yu, Di Xia. The PXRR, a Resource for Macromolecular Crystallography at 17 POSTERS

SP028 SP040 TP050 Altered Dimer Interface Decreases Unusual Commonality and Phase Combined Charge-Density, Time- Stability in an Amyloidogenic Protein. Transformations within the Six Crystal Resolved Photocrystallographic and James R. Thompson, Elizabeth M. Baden, Forms of an Active Pharmaceutical Theoretical Study of the Properties

Francis C. Peterson, Brian F. Volkman, Ingredient. Michael Galella. of K2MVPtpop. Milan Gembicky, Marina Alvarado-Ramirez. Katarina Matuszna, Mateusz Pitak, Marc TP041 Messerschmidt, Philip Coppens. TP029 Modulation of Intensity in Neutron Crystal Structure of Maltase- Spectroscopy. Markus Bleuel, Roland MP052 Glucoamylase as a Basis for Controlling Gahler, Ed Lang, Jyotsana Lal. Targeting DNA Replicative Proteins from Blood Glucose Levels. David R. Rose, Hyperthermophilic and Psychrophilic Lyann Sim. MP042 Archaea for Structure Determination. Fragment-based Cocktail Crystallography M.L. Byrne, R.C. Hughes, D. Marsic, MP030 Combined with in silico Chemical Screening E.J. Meehan, J.D. Ng. Micropatterned Flexible Crystallization to Target uracil-DNA Glycosylase of Plates: Parameters and Applications. Leishmania. Eric Lar-son, W. Deng, S. TP053 Robin Baur, Robert Thorne. Shibata, Z. Zhang, L. Xiao, N. Mueller, A. Homodimeric Structure and dsRNA Napuli, W. Hol, C. Verlinde, E. Merritt, F. Cleavage Activity of the C-terminal TP031 Zucker, F.S. Buckner, W.C.E. Van Vorhis. RNase III Domain of Human Dicer. Design of Porous Solids from 2-D and DaijiroTakeshita, Shuhei Zenno, Kaoru 3-D Coordination Frameworks Utilizing MP044 Saigo, Masaru,Tanokura. Imidazolylbenzoic Acids. Lisa Lee, Yu Crystal Structure of Type II Restriction Wang, John MacDonald. Endonuclease PabI Revealed Novel DNA MP054 Binding Fold and DNA-Recognition Using RasMol, PyMol and Jmol with MP033 Mode. Kenichi Miyazono, Miki the Structural Biology Extensible Structural Impact of Three Parkinsonism- Watanabe, Jan Kosinski, Ken Ishikawa, Visualization Scripting Langauge Associated Missense Mutations of Masayuki Kamo, Tatsuya Sawasaki, (SBEVSL). Paul A. Craig, Scott E. Human DJ-1. Mark Wilson, Mahadevan Janusz M. Bujnicki, Yaeta Endo, Masaru Mottarella, Corey Wischmeyer, Herbert J. Lakshminarasimhan, Marien Maldonado, Tanokura, Ichizo Kobayashi, K. Nagata. Bernstein, Isaac Awuah Asiamah, Darina Wenbo Zhou, Anthony Fink. Boycheva, Georgi Darakev, Nikolay SP045 Darakev, Philip Gozo, John Jamilawon. TP034 Crystal Structures of Human and S. aureus Design and Performance of the New Pruvate Carboxylase and Molecular TP055 Supermirror Guide on HRPD at ISIS. Insights into the Carboxyltransfer New Opportunities for Powder Diffraction Richard Ibberson, K.S. Knight, L.C. Reaction. Song Xiang, Tong Liang. at SNS. Ashfia Huq, Jason Hodges. Chapon, P.G. Rodaelli. TP046 SP056 MP036 First Complex of Biphenyl Dioxygenase A Magic Triangle? Experimental Phasing Transport Across the Bacterial Membrane: with a PCB: Crystal Structure of Biphenyl of Macromolecules with a Triiodo Structural and Functional Aspects of the Dioxygenase with 2, 6 Di Chlorobiphenyl. Benzene Derivative. Tobias Beck, Two Partner Secretion System. Vincent Pravindra Kumar, L. Gomez-Gil, D. George Sheldrick. Villeret, Bernard Clantin. Bar-riault, M. Sylvestre, L.D. Eltis, J.T. Bolin. MP057 SP037 Structure of Protein MMP1218 from Crystal Structure of the Human iNOS MP047 Methanococcus maripaludis S2. Norma CaM-FMN Domain in Complex with An Electron Paramagnetic Resonance Duke, Brittany Conrad, Rory Mulligan, Ca2+-Calmodulin. Chuanwu Xia, Ila Study of the Jahn-Teller Effect in Copper Minyi Gu, Andrzej Joachimiak. Misra, Takashi Iyanagi, Jung-Ja P. Kim. Doped Cadmium-Histidine. Michael Colaneri, Jacqueline Vitali, Brenda SP058 TP038 Marmol. Structure and Function of Achaeal Structure-Function Studies of Enzyme 5-Formaminoimidazole-4- Enzymes Associated with Synthesis of SP048 carboxamide-1-β-D-ribofuranosyl 5’- Glycopeptide Antibiotics. Rong Shi, Hydrogen Bonded Intercalation of Monophosphate Synthetase. Yang Zhang, Sherry Lamb, Sathesh Bhat, Ariane Unsaturated Pyridyl into 1D-Coordination Robert H. White, Steven E. Ealick. Proteau, Traian Sulea, Gerard Wright, Polymers. Teresa Gonzalez, Alexander Allan Matte, Miroslaw Cygler. Briceo, Graciela Diaz de Delgado. TP059 Structural and Mutational Studies of MP039 MP049 Anthocyanin Malonyltransferases SAXS, Lee-Richards Surfaces and a Studying Local Structural Aspects of Establish the Features of BAHD

Samplified Command Set for Maps. Metal-Insulator Transition in Cu(Ir1- Enzyme Catalysis. Hideaki Unno, Herbert J. Bernstein, Isaac Awuah xCrx)2S4 Using Total Scattering X-ray Fumiko Ichimaida, Hirokazu Suzuki, Asiamah, Georgi Darakev, Nikolay Atomic Pair Distribution Function. Emil Seiji Takahashi, Yoshikazu Tanaka, Darakev, John Jemilawon, Nan Jia, Petko Bozin, Ahmad Masadeh, Hyun Jeong Atsushi Saito, Tokuzo Nishino, Masami Kamburov, Greg McQuillan, Georgi Kim, Pavol Juhas, John Mitchell, Simon Kusunoki, Toru Nakayama. Todorov. Billinge.

18 POSTERS

MP060 MP072 MP082 Adventures in Chirality. Frank A Neutron Sensitive Anger Camera for Automated Sample Handling, Data Fronczek. Neutron Scattering Instruments. John Collection and Structure Solution with Rich-ards, Ronald Cooper, Theodore ACTOR. Anglea Criswell, Amber TP061 Viss-cher, Cornelius Donahue. Dowell, Robert Bolotovsky, Cheng Yang, Nondispersive Kirkpatrick-Baez Neutron Jim Pflugrath. Supermirror Optics. Gene Ice, Chris TP073 Tulk, Jamie Molaison, Peter Takacs, Ken Polysaccharide Structures: A Heuristic TP083 Andersen, Thierry Bigault. Journey from Laboratory Sources to Synch- Prospectives for Macromolecular rotron Radiation. Srinivas Janaswamy, Structure Determination via Neutron SP062 Ren-gaswami Chandrasekaran. Isomorphous Replacement Data. Structural Basis for the Iron Uptake David Langs, Hongliang Xu, Herbert Mechanism of Helicobacter pylori SP074 Hauptman. Ferritin. Ki Joon Cho, Ji-Hye Lee, Hye High Resolution Crystal Structures Jeong Shin, In Seok Yang, Seung Taik of the HIV-1 Protease and the I54V SP084 Lim, Kyung Hyun Kim. Mutant Reveal Tetrahedral Reaction Crystal Structures of the Human Intermediates. Yunfeng Tie, Andrey Ceramide Activator Protein Saposin D TP065 Kovalevsky, Alexander Chumanevich, at 1.3 and 2.0Å. Konstantin Popovic, A Cobalt Beacon in the Active Site of Chen-Hsiang Shen, John Louis, Robert Gilbert Prive. Human Carbonic Anhydrase II. Balendu Harrison, Irene Weber. Avvaru, Daniel Arenas, Chingkuang MP085 Tu, David Tanner, Mavis Agbandje- TP075 Three-Dimensional Models of KaiA- McKenna, David Silverman, Robert Toward a Joint X-ray/Neutron Refinement KaiC and KaiB-KaiC Protein Complexes McKenna. of the Cysteine Peptidase Papain: The and Functional Insights into the Room Temperature X-ray Structure. Cyanobacterial Circadian Clock. Rekha MP066 Anna Gardberg, Hugh O’Neill, Edward Pattanayek, De-wight Williams, Sabuj pKa Predictions of Turkey Ovomucoid Snell, Dean Myles. Pattanayek, Tetsuya Mori, Yao Xu, Carl Third Domain via a New CHARMm H. Johnson, Phoebe L. Stewart, Martin Based Generalized Born Algorithm: A SP076 Egli. Validation Study Comparing Experimental Crystallization of the Drosophila Tgo Versus Predicted. Francisco Hernandez- Basic-helix-loop-helix-PAS Domain. TP086 Guzman, Velin Spassov. Dongli Wang, Robert Rose. Crystal Structure of Vaccinia Virus Poly(A) Polymerase-vp39 Heterodimer TP067 TP077 with a Specific UU Oligonucleotides. A High-field (30-45 Tesla) Pulsed Magnet Novel Substrate Binding Modes by the Changzheng Li, Huiying Li, Sufeng Instrument for X-ray Studies of Materials Bacterial (outer membrane) Cobalamin Zhou, Thomas Poulos, Paul D. Gershon. at the Advanced Photon Source. Zahirul Transporter BtuB. Peter Horanyi, Islam, Jacob Ruff, Yasuhiro Matsuda, Zhe Michael Purdy, James Vergis, Christian MP087 Qu, Hiroyuki Nojiri, Shunsuke Yoshii, Banchs, Michael Wiener. Overcoming the Incommensurability Bruce Gaulin, Zhiqiang Mao, Jonathan Between Curved Surfaces and Azimuthal Lang. MP078 Alignment of Divergently Stacked Dia- Facilitating Low Volume Protein mond Unit Cells in Epitaxially Oriented SP068 Crystallography Set-ups Using the Overgrowth. Boris Udovic. Structure of the Nitrosomonas europaea Mosquito® Liquid Handler. Joby Rh Protein. Xin Li, Sanjay Jayachandran, Jenkins, Rob Lewis, Jas Sanghera, Chloe TP088 Hiep-Hoa Nguyen, Michael Chan. Milburn. Submicron-Resolution Three-Dimen- sional X-Ray Microscopy. B.C. Larson. MP069 SP079

Structural Studies on Vitamin B6 Temperature Dependent Studies of Protein TP090 Catabolism. Kathryn McCulloch, Crystals: Lattice Disorder, Radiation Crystal Structure of Human Checkpoint Tathagata Mukherjee, Tadhg Begley, Sensitivity, and the Glass Transition. Kinase 2 in Complex with a Potent & Steven Ealick. Matthew Warkentin, Robert Thorne. Selective Inhibitor. George Lountos, An- drew Jobson, Joseph Tropea, Di Zhang, TP070 MP080 Robert Shoemaker, Yves Pommier, David Structural Studies of Type IIE Restriction Crystal Structure of Pseudomonas Waugh. Endonuclease EcoRII-DNA Complexes. aeruginosa PilY1, a Protein Required for Liqing Chen, Li Qiu, Michal Szczepek, Bacterial Motility and Infection. Jillian SP091 Monika Reuter, Edward J. Meehan. Orans, Ryan Heiniger, Michael Johnson, A Simulation Study of Scattering from Matthew Wolfgang, Matthew Redinbo. Molecular Models with Random Physical SP071 Variations, Applied to Protein Models The Crystal Structure of SARS nsp9 TP081 Derived from SAXS Data. Stefan Sillau, G104E. Zachary Miknis, Timothy Structural Perspective on the Lead Mark van der Woerd, Jay Breidt. Umland, L. Wayne Schultz. Optimization of Anticancer Prodrug PABA/NO. Ravi Kalathur, Joseph Saveedra, Larry Keefer, Xinhua Ji.

19 POSTERS

TP092 TP101 SP111 Time Resolved SAXS and Contrast Allosteric Regulation in the Bacterial Crystal Structure of Conserved Domains Variation SANS for the Study of an GTPase BipA Revealed Through of Streptococcus mutans Adhesion Protein AAA+ ATPase. B. Tracy Nixon, Saikat Structural and Biochemical Studies. Antigen I/II Reveals a Polyproline-type Chowdhury, Baoyu Chen, Tatyana Victoria L. Robinson, Raymond S. Brown, II Helix Interacting with an Extended Sysoeva, Ling Guo. Tobias P. Neef, Megan A. deLivron. α-helix. Matt Larson, Kanagalghatta Rajashankar, Lawrence Delucas, Suzanne SP093 MP102 Michalek, Jeannine Brady, Champion Structural Studies of HLA-B14 and HLA- Wavelength-Shifting Fiber Scintillation Deivanayagam. B27 Subtypes Differently Associated with Neutron Detectors for POWGEN3 & Ankylosing Spondylitis. Pravin Kumar, VULCAN at SNS. Lowell Crow. TP112 Ardeschir Vahedi-Faridi, Elena Merino, Crystal Structure of an RNA Jose A. Lupez de Castro, Wolfram TP103 Methyltransferase in Complex with Saenger, Armin Volz, Barbara Uchanska- Determining the Structure of Individual RNA and S-adenosylhomocystine. Chao Ziegler, Andreas Ziegler. Macromolecules and Nanoparticles with Tu, Joseph Tropea, Brian Austin, David XFEL Sources. Abbas Ourmazd, Russell Waugh, Donald Court, Xinhua Ji. TP094 Fung, Valentin Shneerson. 1.85 Å Structure of a Modified 8R- MP113 Lipoxygenase from the Soft Coral SP104 Time-of-Flight Neutron Crystallography Plexaura homomalla Suggests a New The Crystal Structure of the siRNA at the Protein Crystallography Station Substrate Binding Mode for Animal Binding Domain of an Argonaute Protein at Los Alamos National Laboratory. S. Lipoxygenases. David Neau, Nathan from the Novel Hyperthermophilic Zoe Fisher, Andrey Kovalevsky, Marat Gilbert, Sue Bartlett, Adam Dassey, Archaeon Thermococcus thioreducens. Mustyakimov, Mary Jo Waltman, Benno Marcia Newcomer. Ronny C. Hughes, Miranda L. Byrne, Schoenborn, Paul Langan. Joseph D. Ng. MP095 TP114 Magnetic Annealing Effects on Local TP105 MacCHESS Initiatives: Serving Structural The Structural and Kinetic Implications Atomic Environment in Fe20Ni80. Biology, Preparing for an ERL. Doletha Yevgeniy Puzyrev, Gene Ice, Paul of Glu 106 Mutations on Proton Shuttling Szebenyi, Rick Cerione, Ulrich Englich, Zschack. in Human Carbonic Anhydrase II. Richard Gillilan, Sol Gruner, Quan Hao, Katherine Sippel, Jeanne Quirit, A. Xinguo Hong, Qun Liu, Dave Schuller, TP096 Savoy, Chingkuang Tu, John Domsic, M. Cook, I. Kriksunov, S. Smith. Dissecting the Insulin Promoter by X- David Silverman, Mavis Agbandje- ray Crystallography and Small Angle McKenna, Robert McKenna. SP115 Scattering. Antonella Longo, Urban The Crystal Structure of TTHA0415, a Volker, Rose Robert. MP106 Putative ACP Reducatase from Thermus Determination of Hydrogen Positions thermophilus at 1.9 Å Resolution. James SP097 in Prehnite Using Powder Neutron Tucker Swindell II, L. Chen, A. Ebihara, Crystal Structure of Trioxacarcin A Diffraction. Theresa Detrie, Nancy Ross, A. Shinkai, S. Kuramitsu, S. Yokoyama, Covalently Bound to DNA. Roland Pfoh, Mark Welch, Ross Angel. Z.-Q. Fu, J. Chrzas, J. P. Rose, B. C. George Sheldrick. Wang. TP107 TP098 CORELLI: A Novel Instrument for TP116 Crystal Structures of Different Inhibited Efficient Single Crystal Diffraction A Key Metabolic Enzyme as an Attractive and Redox Forms of Cytochrome c with Elastic Discrimination. Stephan Target for Antibiotic Development. Oxidase Show Changes in Proton Rosenkranz, Ray-mond Osborn. Ronald Viola, Xuying Liu, Alexander Pathways. Ling Qin, Jian Liu, Martyn Pavlovsky, Chris Faehnle. A. Sharpe, Denise A. Mills, Carrie Hiser, SP108 R. Michael Garavito, Shelagh Ferguson- Crystal Structure of the Isolated IQGAP1 MP117 Miller. GAP-related Domain. Vinodh Kurella, Development of a Compact Crystal Courtney Bryan, Jessica Ricks, Henry Positioning System for the TOPAZ MP099 Bellamy, David Worthylake. Single Crystal Diffractometer at the Phase Equilibria and Crystal Chemistry Spallation Neutron Source. Matthew TP109 of the BaO-Nb2O5 and BaO-WO3-Nb2O5 Frost, Christina Hoffmann, Michael Systems. Claudia Rawn, W. Brandon The Crystal Structures of Enterococcus Austin, Peter Carmen, Echo Miller, Lisa Good-win, Antonio dos Santos, Joseph Aminoglycoside (2") Phosphotransferase Mosier, Robert Viola. Muth. Variants Ib and Ic, Enzymes Implicated in Antibiotic Resistance. Clyde Smith, Paul TP118 SP100 Young, Laura Byrnes, Ted Baker. An Open and Flexible Robotic System X-ray Crystallographic Studies of Designed Towards Autonomous Protein Chlorite Dismutase. Brandon Goblirsch, MP110 Crystal Harvesting. Robert Viola, Peter Bennett Streit, Jennifer DuBois, Carrie Magnetic Structural Changes of Cobalt Carmen, Jace Walsh, Echo Miller, Mark Wilmot. Oxide under High Pressure. Antonio Balas, Cameron Wright, Bernhard Rupp. dos Santos, Christopher Tulk, Jaime Molaison, Bryan Chakoumakos.

20 POSTERS

SP119 SP129 SP138 The Structure of a DnaB-Family The Tale of a Four-electron The Role of the Dimeric Interface in Replicative Helicase and its Interactions Oxidoreductase. Chandra J. Duncan, C. the Catalytic Mechanism of Human With Primase. Ganggang Wang, Michael Nicklaus Steussy, Tim Schmidt, Louise Manganese Superoxide Dismutase. John Klein, Etienne Tokonzaba, Yi Zhang, V. Wrensford, Victor W. Rodwell, John Domsic, Jiayin Zheng, Patrick Quint, Lauren Holden, Xiaojiang Chen. W. Burgner II, Cynthia V. Stauffacher. Diane Cabelli, David Silverman, Robert McKenna. TP120 TP130 Structure of the Catalytic Trimer of X-ray Crystal Structures of N- TP139 Methanococcus jannaschii Aspartate semiquinone and Iminoquinone Forms Refinement with Local Structure Transcarbamoylase in an Orthorhombic of Hansenula polymorpha Copper Amine Similarity Restraints (LSSR) Enables Crystal Form. Jacqueline Vitali, Michael Oxidase. Carrie Wilmot, Bryan Johnson, Exploitation of Information from Related Colaneri. Peder Cedervall, Brandon Goblirsch, Structures and Facilitates use of NCS. Judith Klinman. Oliver Smart, Maria Brandl, Claus MP121 Flensberg, Peter Keller, Wlodek Paciorek, TOPAZ, the Next Generation of Single- MP131 Clemens Vonrhein, Gerard Bricogne, Crystal Neutron Diffraction at the The Effect of Homopolymer on the T.O. Womack. Spallation Neutron Source. C.M. Morphology and Domain Size of Diblock Hoffmann, M.J. Frost, J.B. Thomison, Copolymer/Nanoparticle Complexes in MP140 L.E. Davis, M.A. Overbay. a Selective Solvent. Vilas Pol, Chieh- SAXSess - An Analytical Tool for Tsung Lo, Byeongdu Lee, R. Winans, P. Nanostructured Biomaterials. P. Kotnik, TP122 Thiyagarajan. H. Schnablegger, O. Glatter, Ch. Moitzi. Probing the Molecular Interface of Cellulose and Lignin in Biomass. Volker SP132 SP141 Urban, Barbara Evans, Hugh O’Neill, Optimization of Inhibitors of the Crystal Structure of Streptococcus Dean Myles. Human Cytoplasmic Protein Tyrosine pneumoniae Nicotinamidase with Phosphatase. Kristoff T. Homan, Deepa Bound Inhibitor Provides Insight into SP123 Balasubramaniam, Olaf Wiest, Paul Mechanism of Catalysis. Jarrod French, Structural Characterization of a Novel Helquist, Cynthia V. Stauffacher. Anthony Sauve, Steven Ealick. Redox-Sensitive Transcriptional Regula- tor Involved in Pyrococcus furiosus Sulfur TP133 TP142 Response. Hua Yang, Gina Lipscomb, Evaluation of a Novel Rotation Method to CCP4 Diffraction Image C++ Library. Bi-Cheng Wang, Robert Scott. Suppress Absolute Radiation Damage to Francois Remacle, Graeme Winter. Protein Crystals. Kunio Hirata, Go Ueno, TP124 Kazuya Hasegawa, Takashi Kumasaka, MP143 Structural Basis for Substrate Recognition Tetsuya Shimizu, MasakiYamamoto. Small-Angle Neutron Scattering of by Executioner Caspases. Irene Weber, Microemulsion Systems Containing Bin Fang, Johnson Agniswamy, Alexander MP134 pH-Degradable Surfactants for Protein Chumanevich, Robert Harrison. Neutron Diffraction of Polydysprosium Encapsulation and Drug Delivery. Models of Polygadolinium Complexes Douglas Hayes, Javier Gomez del Rio, MP125 with High in Vitro MRI Relaxivities. Volker Urban, J.S. Lin. IMAGINE - Neutron Laue Diffractometer Dale C. Swenson, Paula M.B. Piccoli, at the High Flux Isotope Reactor (HFIR). Arthur J. Schultz, Louis Messerle. SP144 Flora Meilleur, Dean Myles, Bryan A Study of Protocatechuate 3,4- Chakoumakos, Christina Hoffmann, SP135 dioxygenase Mutants and Substrate Chris Tulk, Leighton Coates. The Molecular Basis of MAP Kinase Interactions. Rebecca Hoeft, Ke Shi, Regulation by HePTP. David Critton, Zu-Yi Gu, C. Kent Brown, Jeff Digre, SP126 Breann Brown, Antoni Tortajada, Cathleen A. Earhart, Douglas H. X-ray Crystallographic Studies of Pig Rebecca Page. Ohlendorf. Sarcosine Dehydrogenase. Wei Yong, Ila Misra, Jung-Ja Kim. TP136 TP145 An Automated Pipeline for Doing Automated Crystallographic Structure TP127 Molecular Replacement Including Search Refinement in PHENIX. Pavel Afonine, Analyzing B. stearothermophilus Trypto- Model Discovery and Preparation. Ronan Ralf Grosse-Kunstleve, Peter Zwart, phanyl-tRNA Synthetase (TrpRS) Keegan, Martyn Winn, Peter Briggs, Nigel Moriarty, Paul Adams. Catalytic Activity Using Multiple Mutant Wanjuan Yang. Cycles. Violetta Weinreb, Li Li, Charles MP146 Carter. MP137 Reconstruction of Molecular Envelopes New Opportunities for Simple Access to by SAXS has Implications for Molecular MP128 Automated Crystal Handling at the NSLS. Modeling of APOBEC3G and the A High Pressure Diffractometer at Alexei Soares, Mary Carlucci-Dayton, APOBEC-1 Complementation Factor the Spallation Neutron Source. Jamie Howard Robinson, Robert Sweet, Dieter (ACF). Jason Salter, Jolanta Krucinska, Molaison, Christopher Tulk, Antonio Schneider. Ryan Bennett, Chad Galloway, Moreira dos Santos, Gene Ice. Richard Gillilan, Harold Smith, Joseph Wedekind.

21 POSTERS

SP147 SP157 SP166 Structural Insights into Substrate Computational Construction of a DCoH Stability Regulates HNF-1α Specificity in Copper Amine Oxidases Class Ia Aminoacyl-tRNA Synthetase Activity in Diabetes. Helen Rho, Chasity from Hansenula polymorpha. Valerie Minimal Catalytic Domain: M. Jones, Robert B. Rose. Klema, Cindy Chang, Bryan Johnson, thermoautotrophicus-LeuRS. Ozgun Minae Mure, Judith Klinman, Carrie Erdogan, Steven Lewis, Brian Kuhlman, TP167 Wilmot. Charles Carter. Single-column Purification of Native Proteins to Homogeneity for Structural TP148 TP158 Studies - The IMAC/TAGZyme Process. PrimeX: An Integrated Protein Crystal Distant Homology Detection Using a Frank Schaefer, Helena Block, Jan Structure Refinement Package with LEngth and STructure-based Sequence Kubicek, Jorg Labahn. Power-ful Real-space Tools for Alignment Tool (LESTAT). Marianne Automation. Jeffrey Bell. Lee, Ralf Bundschuh, Michael Chan. MP168 Crystal Structures that Change Across SP149 MP159 Interfaces. Alan David Rae. Trapping a Pre-Ligation Hairpin Influence of Matrix Block Copolymer Ribozyme Complex by Use of 5’-Deoxy- Structure on the Dynamics of Domain- SP169 5’-Fluoro-Guanosine. Robert Spitale, specific Nanoparticles. David Bohnsack, Homology Exploration with ProMOL. Joseph Wede-kind. Vilas Pol, Byeongdu Lee, Alec Corey Wischmeyer, Paul Craig, Herbert Sandy, Randall Winans, Pappannan Bernstein. TP150 Thiyagarajan. A More Automated Approach to TP170 Data Collection for Macromolecular SP160 The PX Scanner: New Developments Crystallography. Billy Poon, Peter Zwart, A 1.6 Å Resolution Crystal Structure of Enabling Complete Low Temperature Paul Adams, Nicholas Sauter. cis-3-Chloroacrylic Acid Dehalogenase Data. J. Duncan. Reveals an Additional Active Site Residue SP151 - R117. Youzhong Guo, Hector Serrano, MP171 Preliminary Neutron and Ultrahigh William Johnson, Christian Whitman, Crystalline Structure Determination Resolution X-ray Single Crystal Marvin Hackert. and Low Temperature Study of Diffraction Studies of the Aspartic Diethylcarbamazine Citrate: An Anti- Proteinase Endothiapepsin Co- TP161 Filariasis Drug. Cecilia Silva, Javier crystallized with a Gem-diol Inhibitor A Rasmol to PyMOL Translator. Scott Ellena, Sara Honorato, Alejandro Ayala, PD-135,040. Han-Fang Tuan, Leighton Mottarella, Brett Hanson, Charles Westin, Jorge Mendonca, Lucia Mayer, Nubia Coates. Paul Craig, Herbert Bernstein. Boechat. TP152 MP162 SP172 New Algorithms for Single Crystal 16 K Synchrotron X-ray Charge Density New Technique of Manipulating a Protein Crystal. Kazufumi Takano, Tomoya Ki- Photometry. Mark Pressprich. Study of Coordination Polymer, Co3(C8H tatani, Shigeru Sugiyama, Hiroyoshi 4O4)4(C4H12N)2(C5H11NO)3 at ChemMast MP153 CARS, APS. Y.S. Chen, H.F. Clausen, J. Matsumura, Hiroaki Adachi, Satoshi SAXS Measurements of Nanoscale Overgaard, B.B. Iversen. Murakami, Tsuyoshi Inoue, Yusuke Condensation Phenomena in Supercritical Mori. Jets. Alec Sandy, Suresh Narayanan, SP163 Jan Ilavsky, Jin Wang, Kuo-Cheng Lin, Is TCR-MHC Recognition the Result of MP173 Michael Ryan, Campbell Carter. T Cell Receptor Evolution or Selection in Intramolecular Hydrogen Bonds Involving the Thymus? Peter Miller, David Riddle, Adjacent OH and CH2OH Groups: SP154 Jeffrey Frelinger, Edward Collins. Neutron Diffraction, Data Mining, and Towards an Automated System for Computational Studies. Carl Schwalbe, Building Nucleic Acids. Johan Hattne, TP164 Daniel Rathbone, Thomas Koetzle, Victor Lamzin. From Sample To Structure: The Arthur Schultz, Sreenivasa Sagineedu, Development and Integration of High- Johnson Stanslas. TP155 throughput Technologies to Provide X- Absorption Correction Based on a 3D ray Data for Structural Solution. Joseph SP174 Model Reconstruction from Visual Luft, Edward Snell, Aina Cohen, Jennifer Desktop Minstrel UV™: A Novel Protein Images. Ricardo Leal, Susana Teixeira, Wolfley, Meriem Said, Raymond Nagel, Crystal Monitoring Automation System Vicente Rey-Bakaikoa, V. Trevor Forsyth, Christina Veatch, M. Elizabeth Snell, Using UV Fluorescence Microscopy. Edward Mitchell. S. Michael Soltis, M. Malkowksi, G. Jian Xu, Craig Sterling, Michael Willis. DeTitta. MP156 TP175 Measuring Nanoscale Perturbation MP165 A Novel, High-throughput System to of Polymer Matrix in Polymer The Structure of Bicyclo[2.2.1]hept-5- Enhance Protein Solubility, Stability Nanocomposites Using X-ray Photon ene-2,3-diylbis(methylene)dimethanesul and Crystallization. Larry DeLucas, Correlation Spectroscopy. Aravinda fonate. Daniel S. Jones, Dawn A. Revis, Lisa Nagy, Tom Lewis, David Johnson, Raghavan, Alec Sandy, Sanford Matthew D. Brooker, Markus Etzkorn. Debbie McCombs, William Wilson, Sternstein, Pappannan Thiyagarajan. Charles Henry.

22 POSTERS

MP176 SP185 Mestrovic, Hrvoj Vancik. The Three-dimensional Network Polymer The Synthesis and Structure of the Alkaline -2 TP194 Formed by the Hydrothermal Reaction of Earth Metal Salts of [Au(SCN)2]2 . Mercaptotriazole and Zinc Thiocyanate. Nathan Coker, A. Darren Back, Cynthia The Design of a Home Lab Beamline for Urs Geiser, John A. Schlueter. Schroll, Tonia Stroud, Jeanette Krause. Screening and Analysis of Microcrystals. Daniel Frankel, Frank von Delft. SP177 TP186 The State of the Art in X-ray Optics - In Vacuum and Thermal Flow-cells for SP195 The FOX Family of Ellipsoidal Single Biological SAXS/WAXS at DND-CAT, Temperature-dependent X-ray Scattering Reflection Optics. Brett Kraabel, Vincent 5ID-D. Steven Weigand, Benjamin Studies of Spin Crossover Materials. Roger, Pacaud Olivier, Peter Høghøj. Stillwell, J. David Londono, William E. Gregory Halder, Karena Chapman, Peter Guise, Denis T. Keane. Chupas. TP178 Augmenter of Liver Regeneration and MP187 TP196 Probing for Interacting Proteins. Quentin Present Status and Future Plan of Structure Determination of Multi- J.T. Florence, Bret Dillard, Peter Horanyi, Structural Biology Beamlines at SPring- component Systems from Pair James T. Swindell, Hao Xu, Bi-Cheng 8. Takashi Kumasaka, Kunio Hirata, Distribution Function. Pavol Juhas, Wang, John P. Rose. Nobutaka Shimizu, Masahide Kawamoto, Phillip M. Duxbury, Simon J.L. Billinge. Kazuya Hasegawa, Seiki Baba, Nobuo SP179 Okazaki, Go Ueno, Atsushi Nisawa, SP197 Time-of-Flight Neutron Diffraction Study Masaki Yamamoto, A.-H. Teh, T. Hikima, High-pressure Crystallography of R- of Human Deoxyhemoglobin. Andrey T. Shimizu. 3c Rhombohedral Perovskites. Jing Kovalevsky, Toshiyuki Chatake, Takuya Zhao, Jing Zhao, Nancy L. Ross, Ross J. Ishikawa, Naoya Shibayama, Sam-Yong SP188 Angel, Serena C. Tarantino, Michael A. Park, Marat Mustyakimov, Paul Langan, Crystal Structure of a Cis and Trans Carpenter. Yukio Morimoto. Isomers of a 2-Pyrroline Derivative and their Anti-cancer Properties. Paul Tongwa, TP198 TP180 Igor Mage-dov, Giovanni Luchetti, Total X-ray Scattering from Dynamic, Robotic Crystallization and Iterative Artem Kireev, Madhuri Manpadi, Wim Biological Crystals. Demian Riccardi, Optimization of Precipitant Concentration. Steelant, Severine Slambrouck, Mikhail Qiang Cui, George N. Phillips, Jr. Shahzad Majeed, Lei Chen, Chantelle Antipin, Tatiana Timofeevac, Alexander SP199 Hood, Gilad Ofek, Khalid Shakir, Kornienko. Tongqing Zhou, Gary Nabel, Peter Molecular Basis for Actin Reorganization Kwong. TP189 by the Neuronal Protein SPAR. Breann Behaviour of Succinonitrile-Based Brown, Rebecca Page. MP181 Lithium Battery Solid Electrolytes under MP200 Novel Lanthanoid Chloride - Methanol Non-Ambient Conditions. Pamela Adduct Crystals, LnCl (CH OH)x(H O)y Temperature and Vibration: Probing 3 3 2 Whitfield, Ali Abouimrane, Isobel the Impact of a Cold-stream on Protein as new Scintillators for Gamma-ray and Davidson. Neutron Detectors. Joanne Ramey, Bryan Crystallography Data Collection. Randy Chakoumakos, Radu Custelcean, Jim MP190 Alkire, Norma Duke, Frank Rotella. Kolo-pus, Rongying Jin, Lynn Boatner, Synchrotron X-ray Scattering Studies of SP201 John Neal, Dariusz Wisniewski. Semiconductor Nanoclusters in Zeolites. Neutron Scattering Study of a Four- A.M. Milinda Abeykoon, S.C. Moss, W. SP182 leg Antiferromagnetic Heisenberg Spin Donner, M. Castro-Colin, E.A. Anokhina, Tube. Ovidiu Garlea, A. Zheludev, L.- Long Range Magentic Cooperativity A. Jacobson. Through Extended Structural Motifs? P. Regnault, J. -H. Chung, Y. Qiu, M. L.N. Dawe, L.K. Thompson. SP191 Boehm, K. Habicht, M. Meissner, E. Are X-rays Damaging to Structural Ressouche, B. Grenier. TP183 Biology? A Case Study with Xylose Surface Entropy Reduction Approaches to MP202 Isomerase. Kristin Wunsch, Mark van New Macromolecular Crystallography Manipulate Crystal Forms of β-Ketoacyl der Woerd, Edward Snell. Acyl Synthase II from Streptococcus Beam Line Facilities at the Stanford pneumoniae. Gopalakrishnan TP192 Synchrotron Radiation Laboratory. Parthasarathy, Richard Cummings, Validation of UO2 Defect Models by X- Herbert Axelrod, Clyde Smith. Joseph Becker, Stephen Soisson. Ray Diffraction for Future Minor Actinide SP203 MOX Fuel Development. Heather Volz, Microwave Assisted Polymorph Selection MP184 Christopher Stanek, Erik Luther, John Comparative Structural Chemistry of in Pharmaceutical Drugs. Jason Cox, Dunwoody, Kenneth McClellan, Stewart Venkat Thalladi. Metal Salts of Different Isomeric Amino Voit. naphthalenesulfonates. Philip Squattrito, MP204 Dane Genther, Spring Downer, Kristin SP193 BioCARS: A State-of-the-art Facility Kirschbaum, Eric Yearley, Alan Modeling the Pre-nucleation Stage of a for Time-resolved Crystallography with Pinkerton. Solid-state Reaction. Ivan Halasz, Ernest 100ps Time Resolution. Robert Henning, Timothy Graber, Vukica Srajer, Yu-Sheng 23 POSTERS

Chen, Zhong Ren, Friedrich Schotte, Phillp Anfinrud, Keith Moffat. SP205 Poster Prizes Multicomponent Organic and Pharma- ceutical Solid Solutions. Marta Dabros, Pauling Venkat Thalladi. The Pauling Poster Prize was established by the ACA, and is supported by member TP206 contributions, to honor Linus Pauling. Linus Time-resolved Macromolecular Crys- Pauling was one of the pioneers in American tallography at BioCARS, Sector 14. structural research and was very supportive Advanced Photon Source. V. Srajer, T. of the ACA. At each Graber, R. Henning, S. Ruan, Z. Ren, annual meeting the five Y.-S. Chen, K. Moffat, P. Anfinrud, F. best student (graduate or Schotte, W.E. Royer, J. Knapp. undergraduate) poster presentations receive Pauling awards. In addition, one poster is SP207 selected as the IUCr winner. The Larry Calvert Characterization of Polymorphic Com- CNC/IUCr Trust Fund sponsors a prize from a pounds. Ilana Goldberg, Jennifer Swift. poster from Canadian laboratory. Winners will be notified before the banquet on Wednesday, June 4. MP208 Enhanced Micro-Diffraction Capabilities at GM/CA CAT. Venugopalan Nagarajan, Mark Hilgart, Sudhir Babu Pothineni, Oxford Cryosystems, Inc. Shenglan Xu, Sergey Stepanov, Michael The Oxford Cryosystems Low Tem- Becker, Oleg Makarov, Ruslan Sanishvilli, perature Poster Prize is awarded to the Craig Ogata, Robert Fischetti. best poster describing work in low tem- perature crystallography. The winner SP209 will receive a cash prize donated by Monitoring the Dehydration of Uric Oxford Cryosystems, Inc. The winner Acid Dihydrate by PXRD and Thermal will be announced at the banquet on Methods. Amanuel Zellelow, Kun-Hae Wednesday, June 4. Kim, Ryan Sours, Jeniffer Swift. TP210 Tobacco Mosaic Virus Assembly of Fibrous and Macroscopic Bundled Arrays Mediated by Surface Aniline RCSB Protein Data Bank The RCSB PDB Poster prize recognizes a student Polymerization. Sai Venkatesh Pingali, poster presentation involving macromolecular crystal- Zhongwei Niu, Michael Bruckman, S. lography. The award will be two educational books Li, L. Lee, Byeongdu Lee, Qian Wang, that will be mailed to the winner after the meeting. An Pappannan Thiyagarajan. announcement will appear on the PDB Web site and in SP211 the PDB Newsletter, and in the ACA and IUCr Newsletters. The Structure of a Dimer Interface Deletion Mutation of the Yeast Prion Protein Ure2p, and its Effect on Fibril Formation and Thermal Stability. William Bauer, Timothy Umland. The Journal of Chemical Crystallography The Journal of Chemical Crystallography MP212 proudly sponsors a prize to be awarded to the A Bacterial Anticomplement. Michal best student (poster) presentation in the area Hammel, Georgia Syfroera, David of chemical crystallography or small molecule Ricklin, Paola Magotti, John D. Lambris, structure determination and analysis at the Brian V. Geisbrecht. ACA’s Annual Meeting. The winner will receive a one-year subscription to the Journal of TP213 Chemical Crystallography and a $200 Springer Structure of Bacterial Multiheme Cyto- book voucher. The winner will be announced at the banquet on chromes at the Microbial-mineral Wednesday, June 4. Interface. Alexander Johs, Wang Wei, Baohua Gu, John F. Ankner, Dean A. Myles, Liyuan Liang.

24 25 Notes

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