|
International
Tables for Crystallography Volume F Crystallography of biological macromolecules Edited by M. G. Rossman and E. Arnold © International Union of Crystallography 2006 |
International Tables for Crystallography (2006). Vol. F. ch. 18.1, p. 369
Section 18.1.1. Overview
a
San Diego Supercomputer Center 0505, University of California at San Diego, 9500 Gilman Drive, La Jolla, CA 92093-0505, USA, and bStructural, Analytical and Medicinal Chemistry, Pharmacia & Upjohn, Inc., Kalamazoo, MI 49001-0119, USA |
Methods of improving and assessing the accuracy of the positions of atoms in crystals rely on the agreement between the observed and calculated diffraction data. Calculation of diffraction data from an atomic model depends on the theoretical model of scattering of X-rays by crystals discussed in IT B (2001![[link]](/graphics/greenarr.gif)
) Chapter 1.2
. The properties of the measured data are discussed in IT C (2004) Chapters 2.2
and 7.1
–7.5
, and the mathematical basis of refinement of structural parameters is discussed in IT C Chapters 8.1
–8.5
. This chapter concentrates on the special features of macromolecular crystallography.
References
International Tables for Crystallography
(2001). Vol. B. Reciprocal space, edited by U. Shmueli. Dordrecht: Kluwer Academic Publishers.Google Scholar
International Tables for Crystallography
(2004). Vol. C. Mathematical, physical and chemical tables, edited by E. Prince. Dordrecht: Kluwer Academic Publishers.Google Scholar
