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Title: MeshAndCollect: an automated multi-crystal data-collection workflow for synchrotron macromolecular crystallography beamlines

The fully automated collection and merging of partial data sets from a series of cryocooled crystals of biological macromolecules contained on the same support is presented, as are the results of test experiments carried out on various systems. Here, an automated procedure is described to identify the positions of many cryocooled crystals mounted on the same sample holder, to rapidly predict and rank their relative diffraction strengths and to collect partial X-ray diffraction data sets from as many of the crystals as desired. Subsequent hierarchical cluster analysis then allows the best combination of partial data sets, optimizing the quality of the final data set obtained. The results of applying the method developed to various systems and scenarios including the compilation of a complete data set from tiny crystals of the membrane protein bacteriorhodopsin and the collection of data sets for successful structure determination using the single-wavelength anomalous dispersion technique are also presented.
Authors:
 [1] ;  [2] ; ; ;  [1] ;  [3] ;  [4] ; ;  [5] ;  [4] ;  [4] ;  [6] ;  [7] ; ;  [1]
  1. European Synchrotron Radiation Facility, CS 40220, 38043 Grenoble (France)
  2. European Molecular Biology Laboratory, Hamburg Outstation, Notkestrasse 85, 22607 Hamburg (Germany)
  3. European Molecular Biology Laboratory, Grenoble Outstation, 71 Avenue des Martyrs, CS 90181, 38042 Grenoble (France)
  4. (France)
  5. Université Grenoble Alpes, IBS, 38044 Grenoble (France)
  6. (ICS), Research Centre Juelich, 52425 Juelich (Germany)
  7. (Russian Federation)
Publication Date:
OSTI Identifier:
22515195
Resource Type:
Journal Article
Resource Relation:
Journal Name: Acta Crystallographica. Section D: Biological Crystallography; Journal Volume: 71; Journal Issue: Pt 11; Other Information: PMCID: PMC4631482; PMID: 26527148; PUBLISHER-ID: tz5083; OAI: oai:pubmedcentral.nih.gov:4631482; Copyright (c) Zander et al. 2015; This is an open-access article distributed under the terms of the Creative Commons Attribution Licence, which permits unrestricted use, distribution, and reproduction in any medium, provided the original authors and source are cited.; Country of input: International Atomic Energy Agency (IAEA)
Country of Publication:
Denmark
Language:
English
Subject:
75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND SUPERFLUIDITY; CRYSTALLIZATION; CRYSTALLOGRAPHY; CRYSTALS; SYNCHROTRONS; X-RAY DIFFRACTION