Literature DB >> 33542514

Cryo-EM model validation recommendations based on outcomes of the 2019 EMDataResource challenge.

Catherine L Lawson1, Andriy Kryshtafovych2, Paul D Adams3,4, Pavel V Afonine3, Matthew L Baker5, Benjamin A Barad6, Paul Bond7, Tom Burnley8, Renzhi Cao9, Jianlin Cheng10, Grzegorz Chojnowski11, Kevin Cowtan7, Ken A Dill12, Frank DiMaio13, Daniel P Farrell13, James S Fraser14, Mark A Herzik15, Soon Wen Hoh7, Jie Hou16, Li-Wei Hung17, Maxim Igaev18, Agnel P Joseph8, Daisuke Kihara19,20, Dilip Kumar21, Sumit Mittal22,23, Bohdan Monastyrskyy2, Mateusz Olek7, Colin M Palmer8, Ardan Patwardhan24, Alberto Perez25, Jonas Pfab26, Grigore D Pintilie27, Jane S Richardson28, Peter B Rosenthal29, Daipayan Sarkar19,22, Luisa U Schäfer30, Michael F Schmid31, Gunnar F Schröder30,32, Mrinal Shekhar22,33, Dong Si26, Abishek Singharoy22, Genki Terashi18, Thomas C Terwilliger34, Andrea Vaiana18, Liguo Wang35, Zhe Wang24, Stephanie A Wankowicz14,36, Christopher J Williams28, Martyn Winn8, Tianqi Wu10, Xiaodi Yu37, Kaiming Zhang27, Helen M Berman38,39, Wah Chiu40,41.   

Abstract

This paper describes outcomes of the 2019 Cryo-EM Model Challenge. The goals were to (1) assess the quality of models that can be produced from cryogenic electron microscopy (cryo-EM) maps using current modeling software, (2) evaluate reproducibility of modeling results from different software developers and users and (3) compare performance of current metrics used for model evaluation, particularly Fit-to-Map metrics, with focus on near-atomic resolution. Our findings demonstrate the relatively high accuracy and reproducibility of cryo-EM models derived by 13 participating teams from four benchmark maps, including three forming a resolution series (1.8 to 3.1 Å). The results permit specific recommendations to be made about validating near-atomic cryo-EM structures both in the context of individual experiments and structure data archives such as the Protein Data Bank. We recommend the adoption of multiple scoring parameters to provide full and objective annotation and assessment of the model, reflective of the observed cryo-EM map density.

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Year:  2021        PMID: 33542514      PMCID: PMC7864804          DOI: 10.1038/s41592-020-01051-w

Source DB:  PubMed          Journal:  Nat Methods        ISSN: 1548-7091            Impact factor:   28.547


  38 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.  Recommendations of the wwPDB NMR Validation Task Force.

Authors:  Gaetano T Montelione; Michael Nilges; Ad Bax; Peter Güntert; Torsten Herrmann; Jane S Richardson; Charles D Schwieters; Wim F Vranken; Geerten W Vuister; David S Wishart; Helen M Berman; Gerard J Kleywegt; John L Markley
Journal:  Structure       Date:  2013-09-03       Impact factor: 5.006

3.  Comparing cryo-EM structures.

Authors:  Catherine L Lawson; Wah Chiu
Journal:  J Struct Biol       Date:  2018-10-13       Impact factor: 2.867

4.  The universal mechanism for iron translocation to the ferroxidase site in ferritin, which is mediated by the well conserved transit site.

Authors:  Taro Masuda; Fumiyuki Goto; Toshihiro Yoshihara; Bunzo Mikami
Journal:  Biochem Biophys Res Commun       Date:  2010-08-10       Impact factor: 3.575

5.  Evaluation system and web infrastructure for the second cryo-EM model challenge.

Authors:  Andriy Kryshtafovych; Paul D Adams; Catherine L Lawson; Wah Chiu
Journal:  J Struct Biol       Date:  2018-07-12       Impact factor: 2.867

6.  A new generation of crystallographic validation tools for the protein data bank.

Authors:  Randy J Read; Paul D Adams; W Bryan Arendall; Axel T Brunger; Paul Emsley; Robbie P Joosten; Gerard J Kleywegt; Eugene B Krissinel; Thomas Lütteke; Zbyszek Otwinowski; Anastassis Perrakis; Jane S Richardson; William H Sheffler; Janet L Smith; Ian J Tickle; Gert Vriend; Peter H Zwart
Journal:  Structure       Date:  2011-10-12       Impact factor: 5.006

7.  Outcome of the first electron microscopy validation task force meeting.

Authors:  Richard Henderson; Andrej Sali; Matthew L Baker; Bridget Carragher; Batsal Devkota; Kenneth H Downing; Edward H Egelman; Zukang Feng; Joachim Frank; Nikolaus Grigorieff; Wen Jiang; Steven J Ludtke; Ohad Medalia; Pawel A Penczek; Peter B Rosenthal; Michael G Rossmann; Michael F Schmid; Gunnar F Schröder; Alasdair C Steven; David L Stokes; John D Westbrook; Willy Wriggers; Huanwang Yang; Jasmine Young; Helen M Berman; Wah Chiu; Gerard J Kleywegt; Catherine L Lawson
Journal:  Structure       Date:  2012-02-08       Impact factor: 5.006

8.  High-resolution structure determination of sub-100 kDa complexes using conventional cryo-EM.

Authors:  Mark A Herzik; Mengyu Wu; Gabriel C Lander
Journal:  Nat Commun       Date:  2019-03-04       Impact factor: 14.919

9.  Evolving data standards for cryo-EM structures.

Authors:  Catherine L Lawson; Helen M Berman; Wah Chiu
Journal:  Struct Dyn       Date:  2020-01-24       Impact factor: 2.920

10.  Measurement of atom resolvability in cryo-EM maps with Q-scores.

Authors:  Grigore Pintilie; Kaiming Zhang; Zhaoming Su; Shanshan Li; Michael F Schmid; Wah Chiu
Journal:  Nat Methods       Date:  2020-02-10       Impact factor: 28.547

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  17 in total

1.  Simplified quality assessment for small-molecule ligands in the Protein Data Bank.

Authors:  Chenghua Shao; John D Westbrook; Changpeng Lu; Charmi Bhikadiya; Ezra Peisach; Jasmine Y Young; Jose M Duarte; Robert Lowe; Sijian Wang; Yana Rose; Zukang Feng; Stephen K Burley
Journal:  Structure       Date:  2022-01-12       Impact factor: 5.006

2.  Resolving the interlayer distance of cationic pyrene clusters embedded in superfluid helium droplets using electron diffraction.

Authors:  Lei Lei; Jie Zhang; Marisol Trejo; Stephen D Bradford; Wei Kong
Journal:  J Chem Phys       Date:  2022-02-07       Impact factor: 3.488

3.  CryoFold: determining protein structures and data-guided ensembles from cryo-EM density maps.

Authors:  Mrinal Shekhar; Genki Terashi; Chitrak Gupta; Daipayan Sarkar; Gaspard Debussche; Nicholas J Sisco; Jonathan Nguyen; Arup Mondal; John Vant; Petra Fromme; Wade D Van Horn; Emad Tajkhorshid; Daisuke Kihara; Ken Dill; Alberto Perez; Abhishek Singharoy
Journal:  Matter       Date:  2021-09-22

Review 4.  Cryo-electron Microscopy of Adeno-associated Virus.

Authors:  Scott M Stagg; Craig Yoshioka; Omar Davulcu; Michael S Chapman
Journal:  Chem Rev       Date:  2022-05-16       Impact factor: 72.087

5.  Sequence-assignment validation in cryo-EM models with checkMySequence.

Authors:  Grzegorz Chojnowski
Journal:  Acta Crystallogr D Struct Biol       Date:  2022-06-07       Impact factor: 5.699

6.  Beyond the Backbone: The Next Generation of Pathwalking Utilities for Model Building in CryoEM Density Maps.

Authors:  Corey F Hryc; Matthew L Baker
Journal:  Biomolecules       Date:  2022-06-02

7.  Validation analysis of EMDB entries.

Authors:  Zhe Wang; Ardan Patwardhan; Gerard J Kleywegt
Journal:  Acta Crystallogr D Struct Biol       Date:  2022-04-20       Impact factor: 5.699

8.  Model building of protein complexes from intermediate-resolution cryo-EM maps with deep learning-guided automatic assembly.

Authors:  Jiahua He; Peicong Lin; Ji Chen; Hong Cao; Sheng-You Huang
Journal:  Nat Commun       Date:  2022-07-13       Impact factor: 17.694

9.  Cryo-EM Map-Based Model Validation Using the False Discovery Rate Approach.

Authors:  Mateusz Olek; Agnel Praveen Joseph
Journal:  Front Mol Biosci       Date:  2021-05-18

10.  High-Performance Deep Learning Toolbox for Genome-Scale Prediction of Protein Structure and Function.

Authors:  Mu Gao; Peik Lund-Andersen; Alex Morehead; Sajid Mahmud; Chen Chen; Xiao Chen; Nabin Giri; Raj S Roy; Farhan Quadir; T Chad Effler; Ryan Prout; Subil Abraham; Wael Elwasif; N Quentin Haas; Jeffrey Skolnick; Jianlin Cheng; Ada Sedova
Journal:  Workshop Mach Learn HPC Environ       Date:  2021-12-27
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