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CERES: a cryo-EM re-refinement system for continuous improvement of deposited models

The field of electron cryomicroscopy (cryo-EM) has advanced quickly in recent years as the result of numerous technological and methodological developments. This has led to an increase in the number of atomic structures determined using this method. Recently, several tools for the analysis of cryo-E...

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Autores principales: Liebschner, Dorothee, Afonine, Pavel V., Moriarty, Nigel W., Poon, Billy K., Chen, Vincent B., Adams, Paul D.
Formato: Online Artículo Texto
Lenguaje:English
Publicado: International Union of Crystallography 2021
Materias:
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC7787109/
https://www.ncbi.nlm.nih.gov/pubmed/33404525
http://dx.doi.org/10.1107/S2059798320015879
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author Liebschner, Dorothee
Afonine, Pavel V.
Moriarty, Nigel W.
Poon, Billy K.
Chen, Vincent B.
Adams, Paul D.
author_facet Liebschner, Dorothee
Afonine, Pavel V.
Moriarty, Nigel W.
Poon, Billy K.
Chen, Vincent B.
Adams, Paul D.
author_sort Liebschner, Dorothee
collection PubMed
description The field of electron cryomicroscopy (cryo-EM) has advanced quickly in recent years as the result of numerous technological and methodological developments. This has led to an increase in the number of atomic structures determined using this method. Recently, several tools for the analysis of cryo-EM data and models have been developed within the Phenix software package, such as phenix.real_space_refine for the refinement of atomic models against real-space maps. Also, new validation metrics have been developed for low-resolution cryo-EM models. To understand the quality of deposited cryo-EM structures and how they might be improved, models deposited in the Protein Data Bank that have map resolutions of better than 5 Å were automatically re-refined using current versions of Phenix tools. The results are available on a publicly accessible web page (https://cci.lbl.gov/ceres). The implementation of a Cryo-EM Re-refinement System (CERES) for the improvement of models deposited in the wwPDB, and the results of the re-refinements, are described. Based on these results, contents are proposed for a ‘cryo-EM Table 1’, which summarizes experimental details and validation metrics in a similar way to ‘Table 1’ in crystallography. The consistent use of robust metrics for the evaluation of cryo-EM models and data should accompany every structure deposition and be reported in scientific publications.
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spelling pubmed-77871092021-01-29 CERES: a cryo-EM re-refinement system for continuous improvement of deposited models Liebschner, Dorothee Afonine, Pavel V. Moriarty, Nigel W. Poon, Billy K. Chen, Vincent B. Adams, Paul D. Acta Crystallogr D Struct Biol Ccp4 The field of electron cryomicroscopy (cryo-EM) has advanced quickly in recent years as the result of numerous technological and methodological developments. This has led to an increase in the number of atomic structures determined using this method. Recently, several tools for the analysis of cryo-EM data and models have been developed within the Phenix software package, such as phenix.real_space_refine for the refinement of atomic models against real-space maps. Also, new validation metrics have been developed for low-resolution cryo-EM models. To understand the quality of deposited cryo-EM structures and how they might be improved, models deposited in the Protein Data Bank that have map resolutions of better than 5 Å were automatically re-refined using current versions of Phenix tools. The results are available on a publicly accessible web page (https://cci.lbl.gov/ceres). The implementation of a Cryo-EM Re-refinement System (CERES) for the improvement of models deposited in the wwPDB, and the results of the re-refinements, are described. Based on these results, contents are proposed for a ‘cryo-EM Table 1’, which summarizes experimental details and validation metrics in a similar way to ‘Table 1’ in crystallography. The consistent use of robust metrics for the evaluation of cryo-EM models and data should accompany every structure deposition and be reported in scientific publications. International Union of Crystallography 2021-01-01 /pmc/articles/PMC7787109/ /pubmed/33404525 http://dx.doi.org/10.1107/S2059798320015879 Text en © Liebschner et al. 2021 http://creativecommons.org/licenses/by/4.0/ This is an open-access article distributed under the terms of the Creative Commons Attribution (CC-BY) Licence, which permits unrestricted use, distribution, and reproduction in any medium, provided the original authors and source are cited.http://creativecommons.org/licenses/by/4.0/
spellingShingle Ccp4
Liebschner, Dorothee
Afonine, Pavel V.
Moriarty, Nigel W.
Poon, Billy K.
Chen, Vincent B.
Adams, Paul D.
CERES: a cryo-EM re-refinement system for continuous improvement of deposited models
title CERES: a cryo-EM re-refinement system for continuous improvement of deposited models
title_full CERES: a cryo-EM re-refinement system for continuous improvement of deposited models
title_fullStr CERES: a cryo-EM re-refinement system for continuous improvement of deposited models
title_full_unstemmed CERES: a cryo-EM re-refinement system for continuous improvement of deposited models
title_short CERES: a cryo-EM re-refinement system for continuous improvement of deposited models
title_sort ceres: a cryo-em re-refinement system for continuous improvement of deposited models
topic Ccp4
url https://www.ncbi.nlm.nih.gov/pmc/articles/PMC7787109/
https://www.ncbi.nlm.nih.gov/pubmed/33404525
http://dx.doi.org/10.1107/S2059798320015879
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