Cargando…
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...
Autor principal: | |
---|---|
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 |
_version_ | 1782172014154350592 |
---|---|
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. |
format | Text |
id | pubmed-2745888 |
institution | National Center for Biotechnology Information |
language | English |
publishDate | 1999 |
publisher | International Union of Crystallography |
record_format | MEDLINE/PubMed |
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 |
work_keys_str_mv | AT terwilligerthomasc s2rareciprocalspacemeasureofthequalityofmacromolecularelectrondensitymaps |