Work

Unbiased three-dimensional refinement of heavy-atom parameters by correlation of origin-removed Patterson functions

Year: 1983

Type: article

Abstract: A procedure is presented for three-dimensional refinement of heavy-atom parameters without the use of phase information in the methods of single and multiple isomorphous replacement. This procedure is based on the Patterson-function correlation method of Rossmann [Acta Cryst. (1960), 13, 221-226] except that the origins of the Patterson functions are now removed from this correlation and centric and acentric reflections are treated separately. The resulting procedure is shown theoretically and by application to three test cases to yield accurate and essentially unbiased estimates of the occupancies, thermal parameters, and positions of heavy-atom sites.

Source: Acta Crystallographica Section A Foundations of Crystallography

DOI: 10.1107/s0108767383001592

Authors: T. C. Terwilliger, D. Eisenberg

Institutions: University of California, Los Angeles, University of California, Berkeley

Language: English

Topic: Enzyme Structure and Function

Subfield: Structural Biology

Field: Biochemistry, Genetics and Molecular Biology

Domain: Life Sciences

Open Access status: hybrid

Funder: U.S. Public Health Service

OpenAlex ID: W2142479284