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

DOI: 10.1107/S0907444912040590 DOI Help
PMID: 23151636 PMID Help

Authors: V. Ramraj (Wellcome Trust Centre for Human Genetics, University of Oxford; Diamond Light Source) , J. M. Diprose (, Wellcome Trust Centre for Human Genetics, University of Oxford) , R. M. Esnouf (Wellcome Trust Centre for Human Genetics, University of Oxford) , G. Evans (Diamond Light Source)
Co-authored by industrial partner: No

Type: Journal Paper
Journal: Acta Crystallographica Section D Biological Crystallography , VOL 68 , PAGES 880

State: Published (Approved)
Published: December 2012

Open Access Open Access

Abstract: 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.

Journal Keywords: Nearest-Cell; Crystal Matches; Crystals; Images; Potentials; Proteins; Space Groups; X-Ray Diffraction

Subject Areas: Biology and Bio-materials, Technique Development


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Added On: 12/01/2013 11:05

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Technique Development - Life Sciences & Biotech Life Sciences & Biotech

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