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Measurement of Atom Resolvability in CryoEM Maps with Q-scores

CryoEM density 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 cryoEM maps, the map Q-score. Q-score...

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Detalles Bibliográficos
Autores principales: Pintilie, Grigore, Zhang, Kaiming, Su, Zhaoming, Li, Shanshan, Schmid, Michael F., Chiu, Wah
Formato: Online Artículo Texto
Lenguaje:English
Publicado: 2020
Materias:
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC7446556/
https://www.ncbi.nlm.nih.gov/pubmed/32042190
http://dx.doi.org/10.1038/s41592-020-0731-1
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author Pintilie, Grigore
Zhang, Kaiming
Su, Zhaoming
Li, Shanshan
Schmid, Michael F.
Chiu, Wah
author_facet Pintilie, Grigore
Zhang, Kaiming
Su, Zhaoming
Li, Shanshan
Schmid, Michael F.
Chiu, Wah
author_sort Pintilie, Grigore
collection PubMed
description CryoEM density 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 cryoEM 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 cryoEM 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 cryoEM maps for both protein and RNA. Assuming the models they are calculated from are well-fitted to the map, Q-scores can thus be used as a measure of resolvability in cryoEM maps at various scales, from entire macromolecules down to individual atoms. Q-score analysis of multiple cryoEM maps of the same proteins derived from different labs confirms the reproducibility of structural features from side chains down to water and ion atoms.
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spelling pubmed-74465562020-08-25 Measurement of Atom Resolvability in CryoEM Maps with Q-scores Pintilie, Grigore Zhang, Kaiming Su, Zhaoming Li, Shanshan Schmid, Michael F. Chiu, Wah Nat Methods Article CryoEM density 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 cryoEM 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 cryoEM 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 cryoEM maps for both protein and RNA. Assuming the models they are calculated from are well-fitted to the map, Q-scores can thus be used as a measure of resolvability in cryoEM maps at various scales, from entire macromolecules down to individual atoms. Q-score analysis of multiple cryoEM maps of the same proteins derived from different labs confirms the reproducibility of structural features from side chains down to water and ion atoms. 2020-02-10 2020-03 /pmc/articles/PMC7446556/ /pubmed/32042190 http://dx.doi.org/10.1038/s41592-020-0731-1 Text en Users may view, print, copy, and download text and data-mine the content in such documents, for the purposes of academic research, subject always to the full Conditions of use:http://www.nature.com/authors/editorial_policies/license.html#terms
spellingShingle Article
Pintilie, Grigore
Zhang, Kaiming
Su, Zhaoming
Li, Shanshan
Schmid, Michael F.
Chiu, Wah
Measurement of Atom Resolvability in CryoEM Maps with Q-scores
title Measurement of Atom Resolvability in CryoEM Maps with Q-scores
title_full Measurement of Atom Resolvability in CryoEM Maps with Q-scores
title_fullStr Measurement of Atom Resolvability in CryoEM Maps with Q-scores
title_full_unstemmed Measurement of Atom Resolvability in CryoEM Maps with Q-scores
title_short Measurement of Atom Resolvability in CryoEM Maps with Q-scores
title_sort measurement of atom resolvability in cryoem maps with q-scores
topic Article
url https://www.ncbi.nlm.nih.gov/pmc/articles/PMC7446556/
https://www.ncbi.nlm.nih.gov/pubmed/32042190
http://dx.doi.org/10.1038/s41592-020-0731-1
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