Surprises and Pitfalls Arising from (pseudo)symmetry

Overview

Journal Acta Crystallogr D Biol Crystallogr

Specialty Chemistry

Date 2007 Dec 21

PMID 18094473

Citations 55

Authors

Peter H Zwart

Ralf W Grosse-Kunstleve

Andrey A Lebedev

Garib N Murshudov

Paul D Adams

Affiliations

Soon will be listed here.

Abstract

It is not uncommon for protein crystals to crystallize with more than a single molecule per asymmetric unit. When more than a single molecule is present in the asymmetric unit, various pathological situations such as twinning, modulated crystals and pseudo translational or rotational symmetry can arise. The presence of pseudosymmetry can lead to uncertainties about the correct space group, especially in the presence of twinning. The background to certain common pathologies is presented and a new notation for space groups in unusual settings is introduced. The main concepts are illustrated with several examples from the literature and the Protein Data Bank.

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