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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.

Original publication

DOI

10.1107/s0907444912040590

Type

Journal article

Journal

Acta crystallographica. Section D, Biological crystallography

Publication Date

12/2012

Volume

68

Pages

1697 - 1700

Addresses

The Division of Structural Biology, Wellcome Trust Centre for Human Genetics, University of Oxford, Oxford, England. varun@strubi.ox.ac.uk

Keywords

Proteins, Crystallography, X-Ray, Protein Conformation, Algorithms, Databases, Protein