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Discover More Molecular Structures and Interactions Nano ITC Nano DSC Protein – Protein Interactions Protein Structural Domains and Stability • Prioritize Drug Candidate Target • Excipient Influence on Molecular Stability Interactions • Stability of Biopharmaceuticals • Validate Ligand Binding to • Direct Measure of Molecular Nucleic Acid Thermodynamics • Quantify both Enthalpy and Entropy in One Titration • No labeling or immobilization required www.tainstruments.com ACA Structure Matters www.AmerCrystalAssn.org Fall 2014 Number 3 On the Cover A sampling of stamps Table of Contents from the collection of E. A. Wood Awardee 2 President's Column Dan Rabinovich. See page 5. 3 From the Editor's Desk Council Meeting Highlights Report of Canadian Division Representative 5 On the Cover IUCr Election Results 6 Structural Dynamics - News & Updates 8 2014 ACA Meeting in Albuquerque 12 Contributors to this Issue 19 Index of Advertisers 47 47th Erice International School of Crystallography 48 PDB Validation Reports 50 YSSIG Activities 53 Candidates for ACA Secretary - 2015 54 News & Awards 56 What's New on the ACA History Panel 57 Net RefleXions 61 CSD Data Deposition 62 Book Reviews 65 ACA 2015 Meeting Preview 67 Puzzle Corner 68 Calendar of Future Meetings AIP Fellowship Opportunities Contributions to ACA RefleXions may be sent to either of the Editors: Please address matters pertaining to advertisements, membership Thomas F. Koetzle [email protected] inquiries, or use of the ACA mailing list to: Judith L. Flippen-Anderson [email protected] Marcia J. Colquhoun, Director of Administrative Services Art in Science: Edgar Meyer American Crystallographic Association Cover: Connie Rajnak Book Reviews: Joe Ferrara P.O. Box 96, Ellicott Station Historian: Virginia Pett Net RefleXions: Amy Sarjeant Buffalo, NY 14205 Photographer: Peter Müller News & Awards: Chiara Pastore tel: 716-898-8692; fax: 716-898-8695 Copy Editing: Jane Griffin [email protected] Puzzle Corner: Frank Fronczek 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 3 2014. 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. Structure Matters President's Column Fall 2014 President’s Column dye and grew crystals that they shared. The International Year of Crystallog- Now, after this successful hands-on dem- raphy (IYCr) 2014 is more than half onstration in his son Alex’s classroom, over. But there are still many outreach several teachers from different schools successes and opportunities to report are asking Angel to have the demon- in North America. Five I know of in stration in their classrooms. So, from particular come to mind. At the recent one seed can grow many opportunities! IUCr 2014 Congress in Montreal, I I hope all of you will approach your children’s teachers, or those learned of two exciting events, one last of children of scientists in your group, and offer them this type of spring and one in mid September, that activity for their classes. Out of such visits can come crystal grow- can inspire us and can serve as model crystal outreach activities ing or video contest entries (see below). I’ll be presenting crys- for us. The first event is a school program unit in crystallography tallographic demonstrations such as this at the joint Long Beach from North Dakota, while the second is an outreach initiative (CA) National Science Teachers Association regional meeting and and symposium at the Canadian Light Source in Saskatoon. CA Science Teacher’s Association meeting in early December. The three upcoming fall events are the US and the Canada Your teachers may even be learning about crystallography there! Crystal Growing Contests and the US/Canada Video Contest. The fall outreach initiative that I mentioned above is a Cana- A talk at the Hawaii ACA meeting in dian Light Source event for local high-school students and July 2013 recounted a core science teachers followed by a symposium for the general public on hands-on lesson in crystallization and September 15, 2014, planned by Pawel Grochulski and Mirek diffraction for 5th grade. The Hawaii Cygler. The high-school outreach included a tour of the light talk showed that after the lesson stu- source, demonstration of diffraction using diffraction grating dents had a significant improvement in slides and a laser, a demo of data collection at a macromolecu- science skills. That impressed many lar crystallography beam line, crystal growth, and visualization of us working on IYCr and also caught of structural results. The symposium featured Alex Wlodawer the attention of Angel Ugrinov, staff talking about 100 years of crystallography and also about the scientist and crystallographer at North Angel Ugrinov & accomplishments of crystallography in HIV and AIDS research. Dakota State University (NDSU). Last Christopher Colbert Synchrotrons are very important to our crystallographic data fall, Angel attended an open house at collection as a community. An outreach and symposium event his son Alex’s Longfellow Elementary School. Alex’s teacher, like the one I’ve described above would be excellent for syn- K. DeLa Pointe, asked if any parent was a scientist, and Angel chrotron sites with crystallographic beam lines to replicate, both replied that he was one. He then wrote to Colleen Lopez, to celebrate IYCr 2014 and also the International Year of Light one of the Hawaii presenters, and got activity ideas from her. 2015. A synchrotron has a high cost and a large presence in a Then this spring, together with Christopher Colbert, NDSU community, and it’s up to researchers like us to talk to the public, assistant professor and crystallographer, Angel gave the children to fellow professionals and to politicians about the importance of in his son’s 5th grade class a hands-on crystallographic experi- scientific accomplishments. There were many rich examples at ence. Such activities are at the heart of Next Generation Science IUCr 2014. In Britain, the young crystallographers in the British Standards, developed through the National Academy of Sciences Crystallographic Association take part in synchrotron outreach as a science core. On the first two days, Angel had one-hour long annually, as well as other science fairs (like the Big Bang Fair). classes where the 5th graders discussed what is science, chem- The last three ACA events that I’ve mentioned are contests this istry, crystallography, and what is their influence in our every fall for school children. There are the Canadian and the US (first day life. Kids learned crystallography vocabulary like atoms, ever) Crystal Growing Contests, modeled on the successful Cana- molecules, order, disorder, crystallinity, amorphous materials, dian contest. Also, there is a Video Contest for US and Canada etc. The 3rd day of the activity was the most exiting for the kids. together. These provide a wonderful opportunity for crystallog- Angel, Christopher, and graduate student Karen Preskay showed raphers to interact with school children and excite them about them crystals under the microscope and how to see structures science through crystals, crystallographers and their accomplish- in stereo. They then built a diamond molecular model. Finally, ments. Please check details at www.iycr2014.org/aca/contests. they prepared saturated solutions of alum colored with food I hope everyone will take an opportunity to 1) grow your own crystals of borax at home (see Crystal Jars at www.iycr2014.org/ aca/education), 2) approach a school teacher with an introduc- tion to crystallography, 3) promote one of our contests, or 4) tell your neighbor or a local politician about why crystallography is important. If we are to survive and thrive as a discipline, we need to share the impact of our field with others. We need to tell people about the value of what we do and excite the next generation about science through crystals and crystallography. Martha Teeter 2 Structure Matters From the Editor's Desk - ACA Council Meeting Highlights - Report of Canadian Division Representative Fall 2014 From the Editor's Desk believe would attract attendees and hence boost membership. This issue of RefleXionsfeatures reports from the ACA's Annual The 2015 meeting has been scheduled in Philadelphia, the City Meeting, held in Albuquerque, New Mexico, in late May. of Brotherly Love. As venues for future meetings were discussed, Council noted that many members were concerned about expen- Connie Rajnak assembled the meeting reports and also sive meeting sites and wondered if it would be possible to locate produced the layout of the meeting pages. We are deeply meetings at, for example, university campuses. While noting indebted to Connie for volunteering her time, and for stepping that this issue is complex, and the meeting must accommodate a in to act in my place, when at the last minute I was unable to wide variety of needs, council agreed this topic warrants further travel to Albuquerque due to a family medical emergency. investigation and deputized several individuals to look into it. RefleXion's comprehensive coverage of the Annual Meeting Finally, an update was presented on the strategic plan- would, of course, not be possible without the efforts of many ning process. Broad objectives have been identified, people, including our poster prize judges and session chairs and the challenge going forward will be to flesh these who drafted reports, and our staff photographer Peter Müller out and identify specific courses of actions. Stay tuned.