Measurement of atom resolvability in cryo-EM maps with Q-scores.

Abstract:

:Cryogenic electron microscopy (cryo-EM) maps are now at the point where resolvability of individual atoms can be achieved. However, resolvability is not necessarily uniform throughout the map. We introduce a quantitative parameter to characterize the resolvability of individual atoms in cryo-EM maps, the map Q-score. Q-scores can be calculated for atoms in proteins, nucleic acids, water, ligands and other solvent atoms, using models fitted to or derived from cryo-EM maps. Q-scores can also be averaged to represent larger features such as entire residues and nucleotides. Averaged over entire models, Q-scores correlate very well with the estimated resolution of cryo-EM maps for both protein and RNA. Assuming the models they are calculated from are well fitted to the map, Q-scores can be used as a measure of resolvability in cryo-EM maps at various scales, from entire macromolecules down to individual atoms. Q-score analysis of multiple cryo-EM maps of the same proteins derived from different laboratories confirms the reproducibility of structural features from side chains down to water and ion atoms.

journal_name

Nat Methods

journal_title

Nature methods

authors

Pintilie G,Zhang K,Su Z,Li S,Schmid MF,Chiu W

doi

10.1038/s41592-020-0731-1

subject

Has Abstract

pub_date

2020-03-01 00:00:00

pages

328-334

issue

3

eissn

1548-7091

issn

1548-7105

pii

10.1038/s41592-020-0731-1

journal_volume

17

pub_type

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