Literature DB >> 30213768

Assessing the quality of single particle reconstructions by atomic model building.

Joshua H Mendez1, Scott M Stagg2.   

Abstract

The 2015/2016 Map Challenge challenged cryo-EM practitioners to process a series of publicly available cryo-EM datasets. As part of the challenge, metrics needed to be developed to assess and compare the quality of the different map submissions. The most common metric for assessing maps is determining the resolution by Fourier shell correlation (FSC), but there are well known instances where the resolution can be misleading. In this manuscript, we present a new approach for assessing the quality of a map by determining the map "modelability" rather than on resolution. We used the automated map tracing and modeling algorithms in Rosetta to generate populations of models, and then compared the populations between different map entries by the Rosetta score, RMSD to a reference model provided by the map challenge, and by pair-wise RMSDs between different models in the population. These metrics were used to determine statistically significant rankings for the map challengers for each dataset. The rankings revealed inconsistencies between the resolution by FSC, emphasized the importance of the interplay between number of particles contributing to a map and map quality, and revealed the importance of software familiarity on single particle reconstruction results. However, because multiple variables changed between map entries, it was challenging to derive best practices from the map challenge results.
Copyright © 2018 Elsevier Inc. All rights reserved.

Entities:  

Keywords:  Best practices; FSC; Map challenge; cryo-EM map assessment

Mesh:

Year:  2018        PMID: 30213768      PMCID: PMC6201253          DOI: 10.1016/j.jsb.2018.09.004

Source DB:  PubMed          Journal:  J Struct Biol        ISSN: 1047-8477            Impact factor:   2.867


  14 in total

1.  Optimal determination of particle orientation, absolute hand, and contrast loss in single-particle electron cryomicroscopy.

Authors:  Peter B Rosenthal; Richard Henderson
Journal:  J Mol Biol       Date:  2003-10-31       Impact factor: 5.469

2.  Accurate determination of local defocus and specimen tilt in electron microscopy.

Authors:  Joseph A Mindell; Nikolaus Grigorieff
Journal:  J Struct Biol       Date:  2003-06       Impact factor: 2.867

3.  UCSF Chimera--a visualization system for exploratory research and analysis.

Authors:  Eric F Pettersen; Thomas D Goddard; Conrad C Huang; Gregory S Couch; Daniel M Greenblatt; Elaine C Meng; Thomas E Ferrin
Journal:  J Comput Chem       Date:  2004-10       Impact factor: 3.376

4.  Ab initio resolution measurement for single particle structures.

Authors:  Duncan Sousa; Nikolaus Grigorieff
Journal:  J Struct Biol       Date:  2006-08-15       Impact factor: 2.867

Review 5.  A review of resolution measures and related aspects in 3D Electron Microscopy.

Authors:  C O S Sorzano; J Vargas; J Otón; V Abrishami; J M de la Rosa-Trevín; J Gómez-Blanco; J L Vilas; R Marabini; J M Carazo
Journal:  Prog Biophys Mol Biol       Date:  2016-09-22       Impact factor: 3.667

6.  CTFFIND4: Fast and accurate defocus estimation from electron micrographs.

Authors:  Alexis Rohou; Nikolaus Grigorieff
Journal:  J Struct Biol       Date:  2015-08-13       Impact factor: 2.867

7.  Quantifying the local resolution of cryo-EM density maps.

Authors:  Alp Kucukelbir; Fred J Sigworth; Hemant D Tagare
Journal:  Nat Methods       Date:  2013-11-10       Impact factor: 28.547

8.  Atomic-accuracy models from 4.5-Å cryo-electron microscopy data with density-guided iterative local refinement.

Authors:  Frank DiMaio; Yifan Song; Xueming Li; Matthias J Brunner; Chunfu Xu; Vincent Conticello; Edward Egelman; Thomas Marlovits; Yifan Cheng; David Baker
Journal:  Nat Methods       Date:  2015-02-23       Impact factor: 28.547

9.  RELION: implementation of a Bayesian approach to cryo-EM structure determination.

Authors:  Sjors H W Scheres
Journal:  J Struct Biol       Date:  2012-09-19       Impact factor: 2.867

10.  Electron counting and beam-induced motion correction enable near-atomic-resolution single-particle cryo-EM.

Authors:  Xueming Li; Paul Mooney; Shawn Zheng; Christopher R Booth; Michael B Braunfeld; Sander Gubbens; David A Agard; Yifan Cheng
Journal:  Nat Methods       Date:  2013-05-05       Impact factor: 28.547

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  1 in total

1.  The first single particle analysis Map Challenge: A summary of the assessments.

Authors:  J Bernard Heymann; Roberto Marabini; Mohsen Kazemi; Carlos Oscar S Sorzano; Maya Holmdahl; Joshua H Mendez; Scott M Stagg; Slavica Jonic; Eugene Palovcak; Jean-Paul Armache; Jianhua Zhao; Yifan Cheng; Grigore Pintilie; Wah Chiu; Ardan Patwardhan; Jose-Maria Carazo
Journal:  J Struct Biol       Date:  2018-08-13       Impact factor: 2.867

  1 in total

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