International Tables for Crystallography

Solvent structure
C. Mattos and D. Ringe. International Tables for Crystallography (2012). Vol. F, ch. 23.5, pp. 800-820  [ doi:10.1107/97809553602060000894 ]


This chapter summarises empirical information on the structure of water molecules bound to proteins. The focus is on structures solved by X-ray crystallography, although complementary techniques of obtaining solvent structure are discussed briefly and, when appropriate, particular examples are given. The coverage includes: methods by which solvent structure can be observed; knowledge derived from database analysis of large numbers of proteins; particular examples of groups of well studied protein structures; the contribution of protein models obtained at very high resolution to the understanding of solvent structure; and an analysis of water molecules as mediators of complex formation. Finally, a conclusion and a perspective is presented regarding the direction in which this information can lead in building a cohesive understanding of the roles played by solvent in the structural integrity and biological function of macromolecules.

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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 eight 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.