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 Crystallogr D Biol Crystallogr

Publication Date

12/2012

Volume

68

Pages

1697 - 1700

Keywords

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