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Title: ISPyB for BioSAXS, the gateway to user autonomy in solution scattering experiments

The ISPyB information-management system for crystallography has been adapted to include data from small-angle X-ray scattering of macromolecules in solution experiments. Logging experiments with the laboratory-information management system ISPyB (Information System for Protein crystallography Beamlines) enhances the automation of small-angle X-ray scattering of biological macromolecules in solution (BioSAXS) experiments. The ISPyB interface provides immediate user-oriented online feedback and enables data cross-checking and downstream analysis. To optimize data quality and completeness, ISPyBB (ISPyB for BioSAXS) makes it simple for users to compare the results from new measurements with previous acquisitions from the same day or earlier experiments in order to maximize the ability to collect all data required in a single synchrotron visit. The graphical user interface (GUI) of ISPyBB has been designed to guide users in the preparation of an experiment. The input of sample information and the ability to outline the experimental aims in advance provides feedback on the number of measurements required, calculation of expected sample volumes and time needed to collect the data: all of this information aids the users to better prepare for their trip to the synchrotron. A prototype version of the ISPyBB database is now available at the European Synchrotron Radiation Facility (ESRF) beamlinemore » BM29 and is already greatly appreciated by academic users and industrial clients. It will soon be available at the PETRA III beamline P12 and the Diamond Light Source beamlines I22 and B21.« less
Authors:
; ; ;  [1] ;  [2] ;  [3] ; ; ;  [1] ;  [4] ; ;  [5] ; ;  [1] ;  [2] ;  [3] ;  [3]
  1. European Synchrotron Radiation Facility, 71 avenue des Martyrs, CS 40220, 38042 Grenoble (France)
  2. European Molecular Biology Laboratory, Grenoble Outstation, 71 avenue des Martyrs, CS 90181, 38042 Grenoble (France)
  3. (France)
  4. DLS, Diamond House, Harwell Science and Innovation Campus, Fermi Avenue, Didcot OX11 0QX (United Kingdom)
  5. European Molecular Biology Laboratory, Hamburg Outstation, c/o DESY, Building 25A, Notkestrasse 85, 22603 Hamburg (Germany)
Publication Date:
OSTI Identifier:
22347739
Resource Type:
Journal Article
Resource Relation:
Journal Name: Acta Crystallographica. Section D: Biological Crystallography; Journal Volume: 71; Journal Issue: Pt 1; Other Information: PMCID: PMC4304688; PMID: 25615862; PUBLISHER-ID: ba5219; OAI: oai:pubmedcentral.nih.gov:4304688; Copyright (c) De Maria Antolinos 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; CRYSTALLOGRAPHY; CRYSTALS; DIAMONDS; EUROPEAN SYNCHROTRON RADIATION FACILITY; FEEDBACK; INTERFACES; LIGHT SOURCES; MATHEMATICAL SOLUTIONS; PROTEINS; SMALL ANGLE SCATTERING; SOLUTIONS; SYNCHROTRONS