International Tables for Crystallography

Access to online content requires a licence


You have followed a link to material from the 2012 edition of International Tables for Crystallography Volume F. If you would like to update your licence to include this material please contact support@iucr.org. If you have a licence for the 2006 edition of this volume please follow the link below to access material from it:

International Tables for Crystallography (2006). Vol. F, Section 18.3.2.6
Structure quality and target parameters
R. A. Engh and R. Huber. International Tables for Crystallography (2012). Vol. F, ch. 18.3, pp. 474-484  [ doi:10.1107/97809553602060000857 ]

Abstract

Because protein crystals typically diffract to resolutions of 2–3 Å for structures of interest, diffraction data must be supplemented by additional information to be used as parameters for modelling the crystal content. Which information to use, and for what kind of model, depends on the questions to be resolved by the modelled structure. The most obvious choice for target parameters are bond lengths and angles derived from atomic resolution structures. This article describes a set of bond and angle target parameters derived from small-molecule structures in the Cambridge Structural Database and their application to the refinement of protein structure models. Other potential sources of target parameters are also briefly discussed.


Access, prices and ordering

International Tables for Crystallography is available online as a full set of volumes through Wiley.

set

If you have already registered and are using a computer listed in your registration details, please email support@iucr.org for assistance.

About International Tables for Crystallography

International Tables for Crystallography is the definitive resource and reference work for crystallography. The multi-volume series comprises articles and tables of data relevant to crystallographic research and to applications of crystallographic methods in all sciences concerned with the structure and properties of materials.