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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...
Autores principales: | , , , , , |
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Formato: | Online Artículo Texto |
Lenguaje: | English |
Publicado: |
2020
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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. |
format | Online Article Text |
id | pubmed-7446556 |
institution | National Center for Biotechnology Information |
language | English |
publishDate | 2020 |
record_format | MEDLINE/PubMed |
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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