Evaluation of macromolecular electron-density map quality using the correlation of local r.m.s. density

被引:62
作者
Terwilliger, TC
Berendzen, J
机构
[1] Univ Calif Los Alamos Natl Lab, Struct Biol Grp, Los Alamos, NM 87545 USA
[2] Univ Calif Los Alamos Natl Lab, Biophys Grp, Los Alamos, NM 87545 USA
来源
ACTA CRYSTALLOGRAPHICA SECTION D-BIOLOGICAL CRYSTALLOGRAPHY | 1999年 / 55卷
关键词
D O I
10.1107/S090744499901029X
中图分类号
Q5 [生物化学];
学科分类号
071010 ; 081704 ;
摘要
It has recently been shown that the standard deviation of local r.m.s. electron density is a good indicator of the presence of distinct regions of solvent and protein in macromolecular electron-density maps here, it is demonstrated that a complementary measure, the correlation of local r.m.s. density in adjacent regions on the unit cell, is also a good measure of the presence of distinct solvent and protein regions. The correlation of local r.m.s. density is essentially a measure of how contiguous the solvent (and protein) regions are in the electron-density map. This statistic can be calculated in real space or in reciprocal space and has potential uses in evaluation of heavy-atom solutions in the MIR and MAD methods as well as for evaluation of trial phase sets in ab initio phasing procedures.
引用
收藏
页码:1872 / 1877
页数:6
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