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σ(2) (R), a reciprocal-space measure of the quality of macromolecular electron-density maps

It has previously been shown that the presence of distinct regions of solvent and protein in macromolecular crystals leads to a high value of the standard deviation of local r.m.s. electron density and that this can in turn be used as a reliable measure of the quality of macromolecular electron-dens...

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Detalles Bibliográficos
Autor principal: Terwilliger, Thomas C.
Formato: Texto
Lenguaje:English
Publicado: International Union of Crystallography 1999
Materias:
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC2745888/
https://www.ncbi.nlm.nih.gov/pubmed/10329780
http://dx.doi.org/10.1107/S0907444999003583
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author Terwilliger, Thomas C.
author_facet Terwilliger, Thomas C.
author_sort Terwilliger, Thomas C.
collection PubMed
description It has previously been shown that the presence of distinct regions of solvent and protein in macromolecular crystals leads to a high value of the standard deviation of local r.m.s. electron density and that this can in turn be used as a reliable measure of the quality of macromolecular electron-density maps [Terwilliger & Berendzen (1999a ▶). Acta Cryst. D55, 501–505]. Here, it is demonstrated that a similar measure, [Image: see text], the variance of the local roughness of the electron density, can be calculated in reciprocal space. The formulation is suitable for rapid evaluation of macromolecular crystallographic phases, for phase improvement and for ab initio phasing procedures.
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spelling pubmed-27458882009-09-23 σ(2) (R), a reciprocal-space measure of the quality of macromolecular electron-density maps Terwilliger, Thomas C. Acta Crystallogr D Biol Crystallogr Research Papers It has previously been shown that the presence of distinct regions of solvent and protein in macromolecular crystals leads to a high value of the standard deviation of local r.m.s. electron density and that this can in turn be used as a reliable measure of the quality of macromolecular electron-density maps [Terwilliger & Berendzen (1999a ▶). Acta Cryst. D55, 501–505]. Here, it is demonstrated that a similar measure, [Image: see text], the variance of the local roughness of the electron density, can be calculated in reciprocal space. The formulation is suitable for rapid evaluation of macromolecular crystallographic phases, for phase improvement and for ab initio phasing procedures. International Union of Crystallography 1999-06-01 1999-06-01 /pmc/articles/PMC2745888/ /pubmed/10329780 http://dx.doi.org/10.1107/S0907444999003583 Text en © Terwilliger 1999 http://creativecommons.org/licenses/by/2.0/uk/ This is an open-access article distributed under the terms of the Creative Commons Attribution Licence, which permits unrestricted use, distribution, and reproduction in any medium, provided the original authors and source are cited.
spellingShingle Research Papers
Terwilliger, Thomas C.
σ(2) (R), a reciprocal-space measure of the quality of macromolecular electron-density maps
title σ(2) (R), a reciprocal-space measure of the quality of macromolecular electron-density maps
title_full σ(2) (R), a reciprocal-space measure of the quality of macromolecular electron-density maps
title_fullStr σ(2) (R), a reciprocal-space measure of the quality of macromolecular electron-density maps
title_full_unstemmed σ(2) (R), a reciprocal-space measure of the quality of macromolecular electron-density maps
title_short σ(2) (R), a reciprocal-space measure of the quality of macromolecular electron-density maps
title_sort σ(2) (r), a reciprocal-space measure of the quality of macromolecular electron-density maps
topic Research Papers
url https://www.ncbi.nlm.nih.gov/pmc/articles/PMC2745888/
https://www.ncbi.nlm.nih.gov/pubmed/10329780
http://dx.doi.org/10.1107/S0907444999003583
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