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Fully automatic characterization and data collection from crystals of biological macromolecules
Considerable effort is dedicated to evaluating macromolecular crystals at synchrotron sources, even for well established and robust systems. Much of this work is repetitive, and the time spent could be better invested in the interpretation of the results. In order to decrease the need for manual int...
Autores principales: | , , , , |
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Formato: | Online Artículo Texto |
Lenguaje: | English |
Publicado: |
International Union of Crystallography
2015
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Materias: | |
Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC4528805/ https://www.ncbi.nlm.nih.gov/pubmed/26249356 http://dx.doi.org/10.1107/S1399004715011918 |
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author | Svensson, Olof Malbet-Monaco, Stéphanie Popov, Alexander Nurizzo, Didier Bowler, Matthew W. |
author_facet | Svensson, Olof Malbet-Monaco, Stéphanie Popov, Alexander Nurizzo, Didier Bowler, Matthew W. |
author_sort | Svensson, Olof |
collection | PubMed |
description | Considerable effort is dedicated to evaluating macromolecular crystals at synchrotron sources, even for well established and robust systems. Much of this work is repetitive, and the time spent could be better invested in the interpretation of the results. In order to decrease the need for manual intervention in the most repetitive steps of structural biology projects, initial screening and data collection, a fully automatic system has been developed to mount, locate, centre to the optimal diffraction volume, characterize and, if possible, collect data from multiple cryocooled crystals. Using the capabilities of pixel-array detectors, the system is as fast as a human operator, taking an average of 6 min per sample depending on the sample size and the level of characterization required. Using a fast X-ray-based routine, samples are located and centred systematically at the position of highest diffraction signal and important parameters for sample characterization, such as flux, beam size and crystal volume, are automatically taken into account, ensuring the calculation of optimal data-collection strategies. The system is now in operation at the new ESRF beamline MASSIF-1 and has been used by both industrial and academic users for many different sample types, including crystals of less than 20 µm in the smallest dimension. To date, over 8000 samples have been evaluated on MASSIF-1 without any human intervention. |
format | Online Article Text |
id | pubmed-4528805 |
institution | National Center for Biotechnology Information |
language | English |
publishDate | 2015 |
publisher | International Union of Crystallography |
record_format | MEDLINE/PubMed |
spelling | pubmed-45288052015-08-24 Fully automatic characterization and data collection from crystals of biological macromolecules Svensson, Olof Malbet-Monaco, Stéphanie Popov, Alexander Nurizzo, Didier Bowler, Matthew W. Acta Crystallogr D Biol Crystallogr Research Papers Considerable effort is dedicated to evaluating macromolecular crystals at synchrotron sources, even for well established and robust systems. Much of this work is repetitive, and the time spent could be better invested in the interpretation of the results. In order to decrease the need for manual intervention in the most repetitive steps of structural biology projects, initial screening and data collection, a fully automatic system has been developed to mount, locate, centre to the optimal diffraction volume, characterize and, if possible, collect data from multiple cryocooled crystals. Using the capabilities of pixel-array detectors, the system is as fast as a human operator, taking an average of 6 min per sample depending on the sample size and the level of characterization required. Using a fast X-ray-based routine, samples are located and centred systematically at the position of highest diffraction signal and important parameters for sample characterization, such as flux, beam size and crystal volume, are automatically taken into account, ensuring the calculation of optimal data-collection strategies. The system is now in operation at the new ESRF beamline MASSIF-1 and has been used by both industrial and academic users for many different sample types, including crystals of less than 20 µm in the smallest dimension. To date, over 8000 samples have been evaluated on MASSIF-1 without any human intervention. International Union of Crystallography 2015-07-31 /pmc/articles/PMC4528805/ /pubmed/26249356 http://dx.doi.org/10.1107/S1399004715011918 Text en © Svensson et al. 2015 http://creativecommons.org/licenses/by/2.0/uk/ 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. |
spellingShingle | Research Papers Svensson, Olof Malbet-Monaco, Stéphanie Popov, Alexander Nurizzo, Didier Bowler, Matthew W. Fully automatic characterization and data collection from crystals of biological macromolecules |
title | Fully automatic characterization and data collection from crystals of biological macromolecules |
title_full | Fully automatic characterization and data collection from crystals of biological macromolecules |
title_fullStr | Fully automatic characterization and data collection from crystals of biological macromolecules |
title_full_unstemmed | Fully automatic characterization and data collection from crystals of biological macromolecules |
title_short | Fully automatic characterization and data collection from crystals of biological macromolecules |
title_sort | fully automatic characterization and data collection from crystals of biological macromolecules |
topic | Research Papers |
url | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC4528805/ https://www.ncbi.nlm.nih.gov/pubmed/26249356 http://dx.doi.org/10.1107/S1399004715011918 |
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