International
Tables for
Crystallography
Volume G
Definition and exchange of crystallographic data
Edited by S. R. Hall and B. McMahon

International Tables for Crystallography (2006). Vol. G, ch. 3.6, p. 153

Section 3.6.6.1.1. Overall description of phasing

P. M. D. Fitzgerald,a* J. D. Westbrook,b P. E. Bourne,c B. McMahon,d K. D. Watenpaughe and H. M. Bermanf

aMerck Research Laboratories, Rahway, New Jersey, USA,bProtein Data Bank, Research Collaboratory for Structural Bioinformatics, Rutgers, The State University of New Jersey, Department of Chemistry and Chemical Biology, 610 Taylor Road, Piscataway, New Jersey, USA,cResearch Collaboratory for Structural Bioinformatics, San Diego Supercomputer Center, University of California, San Diego, 9500 Gilman Drive, La Jolla, CA 92093-0537, USA,dInternational Union of Crystallography, 5 Abbey Square, Chester CH1 2HU, England,eretired; formerly Structural, Analytical and Medicinal Chemistry, Pharmacia Corporation, Kalamazoo, Michigan, USA, and fProtein Data Bank, Research Collaboratory for Structural Bioinformatics, Rutgers, The State University of New Jersey, Department of Chemistry and Chemical Biology, 610 Taylor Road, Piscataway, New Jersey, USA
Correspondence e-mail:  paula_fitzgerald@merck.com

3.6.6.1.1. Overall description of phasing

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The single data item in this category is as follows:

PHASING [Scheme scheme38]

The bullet ([\bullet]) indicates a category key.

Phasing of macromolecular structures often involves the application of more than one of the methods described in the PHASING section of the mmCIF dictionary, such as when phases generated from a multiple isomorphous replacement experiment are improved by molecular averaging. The PHASING category is used to list the methods that were used.

At present, the category contains a single data item, the purpose of which is to specify the method employed in the structure determination. It may have one or more of the values listed in the dictionary (Example 3.6.6.1[link]).

Example 3.6.6.1. The methods used to generate the phases for a hypothetical structure described with the data item in the PHASING category.

[Scheme scheme40]








































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