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New tools for the analysis and validation of cryo‐EM maps and atomic models
Author(s) -
Afonine Pavel V.,
Klaholz Bruno P.,
Moriarty Nigel W.,
Poon Billy K.,
Sobolev Oleg V.,
Terwilliger Thomas C.,
Adams Paul D.,
Urzhumtsev Alexandre
Publication year - 2018
Publication title -
acta crystallographica section d
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 7.374
H-Index - 138
ISSN - 2059-7983
DOI - 10.1107/s2059798318009324
Subject(s) - cryo electron microscopy , resolution (logic) , atomic model , computer science , field (mathematics) , algorithm , data mining , artificial intelligence , physics , mathematics , nuclear magnetic resonance , pure mathematics , programming language
Recent advances in the field of electron cryomicroscopy (cryo‐EM) have resulted in a rapidly increasing number of atomic models of biomacromolecules that have been solved using this technique and deposited in the Protein Data Bank and the Electron Microscopy Data Bank. Similar to macromolecular crystallography, validation tools for these models and maps are required. While some of these validation tools may be borrowed from crystallography, new methods specifically designed for cryo‐EM validation are required. Here, new computational methods and tools implemented in PHENIX are discussed, including d 99 to estimate resolution, phenix.auto_sharpen to improve maps and phenix.mtriage to analyze cryo‐EM maps. It is suggested that cryo‐EM half‐maps and masks should be deposited to facilitate the evaluation and validation of cryo‐EM‐derived atomic models and maps. The application of these tools to deposited cryo‐EM atomic models and maps is also presented.