International Tables for Crystallography

Assessing the quality of macromolecular structures
S. J. Wodak, A. A. Vagin, J. Richelle, U. Das, J. Pontius and H. M. Berman. International Tables for Crystallography (2012). Vol. F, ch. 21.2, pp. 662-676  [ doi:10.1107/97809553602060000880 ]


In this chapter, an overview is presented of the different types of validation procedures applied to proteins and nucleic acids. An approach to model validation based on atomic volumes embodied in the program PROVE is illustrated in some detail and the package SFCHECK, which combines a set of criteria for evaluating the quality of the experimental data and the agreement of the model with the data, is described.

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About International Tables for Crystallography

International Tables for Crystallography is the definitive resource and reference work for crystallography. The series consists of nine volumes and 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.