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ACA - Structure Matters www.AmerCrystalAssn.org Table of Contents 2 President’s Column 3 What's on the Cover 4 ACA History Portal 4-8 Living History - David Haas What's on the Cover 10-14 Living History - Cele Abad-Zapatero Page 3 screen optimization – 15 Spotlight on Stamps 16 ACA Corporate Members 17 News and Awards 18 ACA Philadelphia - Workshop on Serial Crystallography optimized 19 Net RefleXions 19-20 YSSIG Report 20 News from Canada 22-23 Obituaries Bruce Brown (1927-2015) The perfect companion to Don Cromer (1923-2015) Election Results 23 Gerson Cohen (1939-2015) ® mosquito , the new dragonfl y Contributors to this Issue 24-26 Update on Structural Dynamics is a liquid handler for screen 27 Book Reviews optimization, offering positive 28 ACA - Philadelphia - SAS Workshop 29-35 2015 ACA Travel Grant Recipients displacement and non-contact 36-38 ACA Elections Results for 2016 39 Puzzle Corner dispensing from 0.5 µL upwards, Index of Advertisers for all types of liquids regardless 40-41 Contributors to ACA Award Funds 42-44 ACA 2016 - Philadelphia - Preview of viscosity. 45 Call for Nominations New ACA Award Honoring David Rognlie 46 CCDC Announces 800,000th Entry 47 ACA 2016 - Summer Course in Chemical Crystallography 48 Calendar of Meetings Contributions to ACA RefleXions may be sent to either of the Editors: Please address matters pertaining to advertisements, membership Judith L. Flippen-Anderson [email protected] inquiries, or use of the ACA mailing list to: Thomas F. Koetzle ................................................ [email protected] Marcia J. Colquhoun, Director of Administrative Services American Crystallographic Association Cover: Connie Rajnak Book Reviews: Joe Ferrara P.O. Box 96, Ellicott Station Historian: Virginia Pett Net RefleXions: Anastasiya Vinokur Buffalo, NY 14205 Photographer: Peter Müller News & Awards: Chiara Pastore tel: 716-898-8692; fax: 716-898-8695 fast accurate simple Copy Editing: Jane Griffin Puzzle Corner: Frank Fronczek [email protected] prepares a 96-well gradient plate dispenses any volume into any well user-friendly, fast set-up, Spotlight on Stamps Daniel Rabinovich within 5 minutes with no cross-contamination free, easy screen design software Deadlines for contributions to ACA RefleXions are: February 1 (Spring), May 1 (Summer), August 1 (Fall), and November 1 (Winter) ACA RefleXions (ISSN 1058-9945) Number 4, 2015. Published four times per year in the spring, summer, fall, and winter for the membership of the American Crystallographic Association, P.O. Box 96, Ellicott Station, Buffalo, NY 14205-0096. Membership in the ACA includes a non-deductible charge of $1.75 from membership dues to be applied to a subscription to ACA RefleXions. Periodicals postage paid at Buffalo, New York. POSTMASTER: Send address changes to ACA, P.O.Box 96, Ellicott Station, Buffalo, NY 14205-0096. discover.ttplabtech.com/dragonfl y For more information please email: [email protected] ACA President's Column Winter 2015 ACA What's on the Cover Winter 2015 Structure Matters Structure Matters President's Column on challenges facing many societies: declining membership, What's on the Cover the role or value of societies like the ACA in today’s climate of It is with a heavy heart, yet Marius Schmidt, an invited speaker in session 2.1.5: Structural Dynamics, chaired social media, open access publishing, etc. As such, I feel that one brimming with pride that by Keith Moffat and George Phillips, kindly supplied all the figures shown on the we have an opportunity here to look deeply and thoughtfully I pen my final column as ACA cover. The background is a diffraction pattern from photoactive yellow protein at how we structure the ACA to not only meet, but get out in President. The last year has (PYP) microcrystals; the data was collected on the CSPAD, (Cornell-SLAC- front of a number of these issues. Major personnel changes also been an amazing experience Pixel-Area Detector). The central orange mask denotes electronic attenuation to present an opportunity to reflect on the overall organizational for me, as having the honor and boost the dynamic range. responsibility of leading this chart. I think the ACA should do just that and consider a range At upper left: a strong Difference Electron Density (DED) map from TR-SFX august society has been truly of models going forward. x-ray data. Some dark state residues are shown in yellow; the dark state structure gratifying, enlightening and Financial challenges, including the ACA’s dependence on is displayed by the light blue ribbon. Negative difference electron density is in in many ways, transformative. our annual meeting for revenue and the issues confronting red, positive in blue. Large features up to -22σ / +18σ are present. Perhaps my biggest take-away many societies regarding relevance, are not trivial. We should from the past year, however, has acknowledge and embrace these challenges and look ahead to The images at upper right zoom into the chromophore pocket of PYP; the been recognizing the passion, leveraging our resources using best practices delineated in the image in the upper right corner is a 1 μs pump-probe delay from time-resolved commitment and pride ACA members have in our organization broader scientific community. ACA’s participation in the Council serial femtosecond crystallography (TR-SFX), the yellow color denotes dark — ‘member driven’ puts it mildly! of Scientific Society Presidents (CSSP) has helped foster an state; magenta and red, pR1 and pR2, respectively. For comparison, the image immediately to the left is the corresponding 1 μs Laue map. The photocycle I will take a final opportunity to thank our CEO Bill Duax; awareness of challenges/opportunities in this arena, as has my examined by time-resolved crystallography contains six intermediates: IT, ICT, CFO S. N. Rao, Director of Administrative Serves and Meetings engagement with AIP’s Board of Directors. The latter has led me pR1, pR2, pB1 and pB2. Difference electron density is in red/white (negative) an blue/cyan (positive). Manager, Marcia Colquhoun and our Membership Secretary, to believe we can make even more use of our parent organization. Kristina Vitale for their tireless efforts that keep the ACA running What does this mean in the near term and how do we develop At lower left: dark PYP structure in yellow and electron density from x-ray FEL (Free Electron Laser) data collected at the on our behalf. We are also lucky to have countless members who a succession plan? Immediate steps include the formation of a LCLS (Linear Coherent Light Source). All images on the cover are from a paper: Time-Resolved Serial Crystallography Captures volunteer their time to make this organization what it is today. succession committee. Council (at the Fall meeting) voted to High-Resolution Intermediates of Photoactive Yellow Protein, Science, 5th December 2014, pp 1242-1246. [DOI:10.1126/ I would like to thank all of the Council members with whom I create such an entity and I have been charged with populating science.1259357], corresponding author: Marius Schmidt. have served and acknowledge their efforts as well. The ACA is it. We will happily entertain volunteers or suggestions and I fortunate that Mike James will continue to represent our Canadian intend to have the committee established in advance of the members and that Diana Tomchick will continue as ACA secretary. spring Council meeting. An official charge is still in the works, Personally, I am grateful to outgoing Past President Martha Teeter yet one may obviously infer from this column what needs to be for her leadership and mentoring, as well as outgoing Treasurer accomplished: figure out what to do next, who will do it, where Jim Kaduk for his breadth of experience and attention to detail. will it be and how much it will cost … all the while maintaining SAXSpoint In 2016 Martin Donakowski will be the YSSIG Representative the identity of the ACA, promoting its mission and tackling any to Council and Hanna Dabkowska will continue to bring the and all challenges head on. No sweat …. Deep breath! I look The compact laboratory IUCr perspective to our Council meetings. Moreover, the forward to working with all of you on this and I will make these entire ACA is indebted to Tom Koetzle for his herculean efforts activities the priority of my term as Past President. SAXS/WAXS/GISAXS system producing the fall issue of RefleXions with all the reviews from My summer President’s column alerted you to some personal the Philadelphia meeting, and to Judy Flippen-Anderson for her professional developments wherein I was selected as an AIP State Excellent resolution work on RefleXions and for her tireless advocacy of our journal, Department Science Fellow. As such, I have begun a sabbatical Most comprehensive sample environment Structural Dynamics. We are of course happy to welcome two this past August in the Bureau of International Security and new members to Council — Sue Byram as Treasurer and Amy Nonproliferation, Office of Weapons of Mass Destruction and Highest data quality Sarjeant as Vice-President. I think you will agree that we have Terrorism (ISN/WMDT). I look forward to the next issue of a great line-up going forward, especially with Tom Terwilliger RefleXions where I can provide a few more details as to this Versatile. Precise. Compact. SAXSpoint taking the reins as President. experience. Security clearance comes with a few challenges, While we are on the subject of changes, and I hope you are and clearing one’s report for print is one of them. That said, sitting down, some significant changes are afoot in Buffalo. Both I am on the Nuclear Forensics team and am hard at work on Bill and Marcia have announced their pending retirements.