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<jats:p>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,<jats:italic>Nearest-cell</jats:italic>rapidly scans the Protein Data Bank and retrieves near-matches.</jats:p>

Original publication

DOI

10.1107/s0907444912040590

Type

Journal article

Journal

Acta Crystallographica Section D Biological Crystallography

Publisher

International Union of Crystallography (IUCr)

Publication Date

01/12/2012

Volume

68

Pages

1697 - 1700