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ABSTRACT:
SUBMITTER: Headd JJ
PROVIDER: S-EPMC4014122 | biostudies-literature | 2014 May
REPOSITORIES: biostudies-literature
Headd Jeffrey J JJ Echols Nathaniel N Afonine Pavel V PV Moriarty Nigel W NW Gildea Richard J RJ Adams Paul D PD
Acta crystallographica. Section D, Biological crystallography 20140430 Pt 5
One of the great challenges in refining macromolecular crystal structures is a low data-to-parameter ratio. Historically, knowledge from chemistry has been used to help to improve this ratio. When a macromolecule crystallizes with more than one copy in the asymmetric unit, the noncrystallographic symmetry relationships can be exploited to provide additional restraints when refining the working model. However, although globally similar, NCS-related chains often have local differences. To allow fo ...[more]