XXV General Assembly and Congress of the
International Union of Crystallography - IUCr 2021
August 14 - 22, 2021 | Prague, Czech Republic
Conference Agenda
Overview and details of the sessions of this conference. Please select a date or location to show only sessions at that day or location. Please select a single session for detailed view (with abstracts and downloads if available).
Please note that all times are shown in the time zone of the conference. The current conference time is: 20th Apr 2024, 07:57:10am CEST
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Session Overview |
| Session | ||
MS-7: High troughput vs. careful planning: How to get the best data?
Invited: Danny Axford (UK), Aina Cohen (USA) | ||
| Session Abstract | ||
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The experimental data (diffraction intensities, EM images, etc.) are obviously the primary source for all subsequent elucidation of macromolecular structures. The highest possible quality of these data is therefore of crucial importance. Many user-friendly and automatic programs are available for measuring and quality-estimation of data obtained by various techniques, but it is sometimes not clear which factors play most important roles for the veracity and accuracy of the final structural For all abstracts of the session as prepared for Acta Crystallographica see PDF in Introduction, or individual abstracts below. | ||
| Introduction | ||
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10:20am - 10:25am
ID: 1737 / MS-7: 1 Introduction Oral/poster Introduction to session 10:25am - 10:55am
ID: 1359 / MS-7: 2 Theory, computation, modelling, data, standards Invited lecture to session MS: High troughput vs. careful planning: How to get the best data? Keywords: structural biology, automation, serial crystallography, controlled humidity Next-generation Automation and Remote-access Crystallography Stanford Synchrotron Radiation Lightsource (SSRL) and Linac Coherent Light Source (LCLS), SLAC National Accelerator Laboratory, Stanford University, Menlo Park, United States of America External Resource:
 10:55am - 11:25am
ID: 1011 / MS-7: 3 Theory, computation, modelling, data, standards Invited lecture to session MS: High troughput vs. careful planning: How to get the best data? Keywords: macromolecular crystallography, multi-crystal, serial crystallography, SSX, high-throughput Strength in Numbers: Exploiting the space between single crystal oscillation and serial femtosecond crystallography Diamond Light Source, Harwell Oxford, Didcot, OX11 0DE, United Kingdom External Resource:
11:25am - 11:45am
ID: 1001 / MS-7: 4 Theory, computation, modelling, data, standards Oral/poster MS: High troughput vs. careful planning: How to get the best data? Keywords: Autonomous experimentation Towards High-Throughput Autonomous Infrared Spectromicroscopy LBNL, Berkeley, United States of America External Resource:
11:45am - 12:05pm
ID: 674 / MS-7: 5 Theory, computation, modelling, data, standards Oral/poster MS: High troughput vs. careful planning: How to get the best data? Keywords: MX data, Strategy, Low intensity, High multiplicity, Anomalous data Strategy in the age of 360° sweeps DECTRIS, Baden-Dättwil, Switzerland External Resource:
12:05pm - 12:25pm
ID: 222 / MS-7: 6 Bursary application Oral/poster MS: Stimuli-responsive crystalline compounds, High troughput vs. careful planning: How to get the best data?, Data-driven discovery in crystallography Keywords: flexible crystal, elastic crystal, automation, mechanisms, synchrotron Exploring the mechanism of elastically flexible crystals by automatic analysis 1The University of Queensland, St Lucia, QLD, Australia; 2The Australian Synchrotron, Clayton, VIC, Australia Bibliography
Bhandary, S.; Thompson, A. J.; McMurtrie, J. C.; Clegg, J. K.; Ghosh, P.; Mangalampalli, S.; Takamizawa, S.; Chopra, D., The mechanism of bending in a plastically flexible crystal. Chem. Commun. 2020, 56, 12841-12844. External Resource:
ID: 686
/ MS-7: 7
Bursary application Oral/poster MS: Automation in bio-crystallography: tools, perspectives and applications, Structural biology of enzymes, mechanism and regulation, High troughput vs. careful planning: How to get the best data? Posters only: Hot structures of biological importance, Macromolecular and biological crystallography (if it does not fit to any specific topics), Theory, computation, modeling, data, standards (if it does not fit to any specific topics) Keywords: resolution, software, automation, refinement, macromolecular crystallography Finding the optimal resolution cutoff with PAIREF 1Czech Technical University in Prague, Czech Republic, Faculty of Nuclear Sciences and Physical Engineering; 2Institute of Biotechnology of the Czech Academy of Sciences, Biocev; 3University of Konstanz; 4University of Chemical and Technology Prague, Department of Biochemistry and Microbiology Bibliography
Malý, M., Diederichs, K., Dohnálek, J. & Kolenko, P. (2020). "Paired refinement under the control of PAIREF" IUCrJ 7, pp. 681–692. Kolenko, P., Stránský, J., Kovaľ, T., Malý, M., Dohnálek, J. “SHELiXir: Automation of experimental phasing procedures using SHELX C/D/E” J. Appl. Cryst. - accepted for publication External Resource:
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