Assessment of structural features in Cryo-EM density maps using SSE and side chain Z-scores

被引:19
作者
Pintilie, Grigore [1 ]
Chiu, Wah [1 ]
机构
[1] Stanford Univ, Dept Bioengn, Stanford, CA 94305 USA
关键词
Cryo-Electron Microscopy; Proteins; Secondary structures; Side chains; Statistics; MICROSCOPY; VALIDATION; REFINEMENT; MODEL;
D O I
10.1016/j.jsb.2018.08.015
中图分类号
Q5 [生物化学]; Q7 [分子生物学];
学科分类号
071010 ; 081704 ;
摘要
We introduce a new method for assessing resolvability of structural features in density maps from Cryo-Electron Microscopy (Cryo-EM) using fitted or derived models. It calculates Z-scores for secondary structure elements (SSEs) and side chains. Z-scores capture how much larger the cross-correlation score (CCS) is for atoms in such features at their placed locations compared to the CCS at displaced positions. Z-scores are larger when the structural features are well-resolved, as confirmed by visual analysis. This method was applied to all 66 maps submitted to the 2015/2016 EMDB map challenge. For each map, the fitted model provided by the map committee was used in this assessment. The average Z-scores for each map and fitted model correlate moderately well with reported map resolutions (r(2) = 0.45 for SSE Z-scores and r(2) = 0.56 for side chain Z-scores). Rankings of the submitted maps based on average Z-scores seem to more closely agree with visual analysis. Z-scores can also be used to pinpoint which parts of a model are well-resolved in a map, and which parts of the model may need further fitting or refinement to make the model better match the density.
引用
收藏
页码:564 / 571
页数:8
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