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Published in

International Union of Crystallography, Journal of Applied Crystallography, 5(37), p. 791-801, 2004

DOI: 10.1107/s0021889804017583

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About the efficiency of the early FOMs inab initioprotein phasing

This paper is available in a repository.
This paper is available in a repository.

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Postprint: archiving allowed
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Data provided by SHERPA/RoMEO

Abstract

Allab initiotechniques for solving protein crystal structures use multisolution approaches. Several figures of merit that are found in the literature are efficient in the last steps of the phasing process, when some trials converge to the correct solution with a relatively small average phase error. Early figures of merit are much more critical; they should be able to recognize useful trials when the phase error is still large, and their efficiency determines the efficiency of the program. In the present work, a wide variety of known figures of merit at atomic and quasi-atomic (∼1.4 Å) resolution have been tested; new figures have also been devised and tested. Their application to a large set of test structures allows the study of their properties at different data resolutions and the selection of the most efficient figures within theSIR2003-Nframework.