Nearest-cell: a fast and easy tool for locating crystal matches in the PDB
- Diamond Light Source, Harwell Science and Innovation Campus, Didcot OX11 0DE (United Kingdom)
- The Division of Structural Biology, Wellcome Trust Centre for Human Genetics, University of Oxford, Oxford OX3 7BN (United Kingdom)
A fast and easy tool to locate unit-cell matches in the PDB is described. 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.
- OSTI ID:
- 22347867
- Journal Information:
- Acta Crystallographica. Section D: Biological Crystallography, Vol. 68, Issue Pt 12; Other Information: PMCID: PMC3498934; PMID: 23151636; PUBLISHER-ID: dz5261; OAI: oai:pubmedcentral.nih.gov:3498934; Copyright (c) Ramraj et al. 2012; 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); ISSN 0907-4449
- Country of Publication:
- Denmark
- Language:
- English
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