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Nearest-cell: a fast and easy tool for locating crystal matches in the PDB

When embarking upon X-ray diffraction data collection from a potentially novel macromolecular crystal form, it can be useful to ascertain whether the measured data reflect a crystal form that is already recorded in the Protein Data Bank and, if so, whether it is part of a large family of related str...

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Detalles Bibliográficos
Autores principales: Ramraj, V., Evans, G., Diprose, J. M., Esnouf, R. M.
Formato: Online Artículo Texto
Lenguaje:English
Publicado: International Union of Crystallography 2012
Materias:
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3498934/
https://www.ncbi.nlm.nih.gov/pubmed/23151636
http://dx.doi.org/10.1107/S0907444912040590
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author Ramraj, V.
Evans, G.
Diprose, J. M.
Esnouf, R. M.
author_facet Ramraj, V.
Evans, G.
Diprose, J. M.
Esnouf, R. M.
author_sort Ramraj, V.
collection PubMed
description When embarking upon X-ray diffraction data collection from a potentially novel macromolecular crystal form, it can be useful to ascertain whether the measured data reflect a crystal form that is already recorded in the Protein Data Bank and, if so, whether it is part of a large family of related structures. Providing such information to crystallographers conveniently and quickly, as soon as the first images have been recorded and the unit cell characterized at an X-ray beamline, has the potential to save time and effort as well as pointing to possible search models for molecular replacement. Given an input unit cell, and optionally a space group, Nearest-cell rapidly scans the Protein Data Bank and retrieves near-matches.
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spelling pubmed-34989342012-11-16 Nearest-cell: a fast and easy tool for locating crystal matches in the PDB Ramraj, V. Evans, G. Diprose, J. M. Esnouf, R. M. Acta Crystallogr D Biol Crystallogr Short Communications When embarking upon X-ray diffraction data collection from a potentially novel macromolecular crystal form, it can be useful to ascertain whether the measured data reflect a crystal form that is already recorded in the Protein Data Bank and, if so, whether it is part of a large family of related structures. Providing such information to crystallographers conveniently and quickly, as soon as the first images have been recorded and the unit cell characterized at an X-ray beamline, has the potential to save time and effort as well as pointing to possible search models for molecular replacement. Given an input unit cell, and optionally a space group, Nearest-cell rapidly scans the Protein Data Bank and retrieves near-matches. International Union of Crystallography 2012-12-01 2012-11-09 /pmc/articles/PMC3498934/ /pubmed/23151636 http://dx.doi.org/10.1107/S0907444912040590 Text en © Ramraj et al. 2012 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 Short Communications
Ramraj, V.
Evans, G.
Diprose, J. M.
Esnouf, R. M.
Nearest-cell: a fast and easy tool for locating crystal matches in the PDB
title Nearest-cell: a fast and easy tool for locating crystal matches in the PDB
title_full Nearest-cell: a fast and easy tool for locating crystal matches in the PDB
title_fullStr Nearest-cell: a fast and easy tool for locating crystal matches in the PDB
title_full_unstemmed Nearest-cell: a fast and easy tool for locating crystal matches in the PDB
title_short Nearest-cell: a fast and easy tool for locating crystal matches in the PDB
title_sort nearest-cell: a fast and easy tool for locating crystal matches in the pdb
topic Short Communications
url https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3498934/
https://www.ncbi.nlm.nih.gov/pubmed/23151636
http://dx.doi.org/10.1107/S0907444912040590
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