Literature DB >> 33397925

FSC-Q: a CryoEM map-to-atomic model quality validation based on the local Fourier shell correlation.

Erney Ramírez-Aportela1, David Maluenda2, Yunior C Fonseca2, Pablo Conesa2, Roberto Marabini3, J Bernard Heymann4, Jose Maria Carazo5, Carlos Oscar S Sorzano6,7.   

Abstract

In recent years, advances in cryoEM have dramatically increased the resolution of reconstructions and, with it, the number of solved atomic models. It is widely accepted that the quality of cryoEM maps varies locally; therefore, the evaluation of the maps-derived structural models must be done locally as well. In this article, a method for the local analysis of the map-to-model fit is presented. The algorithm uses a comparison of two local resolution maps. The first is the local FSC (Fourier shell correlation) between the full map and the model, while the second is calculated between the half maps normally used in typical single particle analysis workflows. We call the quality measure "FSC-Q", and it is a quantitative estimation of how much of the model is supported by the signal content of the map. Furthermore, we show that FSC-Q may be helpful to detect overfitting. It can be used to complement other methods, such as the Q-score method that estimates the resolvability of atoms.

Entities:  

Year:  2021        PMID: 33397925     DOI: 10.1038/s41467-020-20295-w

Source DB:  PubMed          Journal:  Nat Commun        ISSN: 2041-1723            Impact factor:   14.919


  1 in total

1.  Automatic local resolution-based sharpening of cryo-EM maps.

Authors:  Erney Ramírez-Aportela; Jose Luis Vilas; Alisa Glukhova; Roberto Melero; Pablo Conesa; Marta Martínez; David Maluenda; Javier Mota; Amaya Jiménez; Javier Vargas; Roberto Marabini; Patrick M Sexton; Jose Maria Carazo; Carlos Oscar S Sorzano
Journal:  Bioinformatics       Date:  2020-02-01       Impact factor: 6.937

  1 in total
  7 in total

1.  Core and rod structures of a thermophilic cyanobacterial light-harvesting phycobilisome.

Authors:  Keisuke Kawakami; Tasuku Hamaguchi; Yuu Hirose; Daisuke Kosumi; Makoto Miyata; Nobuo Kamiya; Koji Yonekura
Journal:  Nat Commun       Date:  2022-06-17       Impact factor: 17.694

2.  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

3.  3DBionotes COVID-19 Edition.

Authors:  Jose Ramon Macias; Ruben Sanchez-Garcia; Pablo Conesa; Erney Ramirez-Aportela; Marta Martinez Gonzalez; Carlos Wert-Carvajal; Alberto M Parra-Perez; Joan Segura Mora; Sam Horrell; Andrea Thorn; Carlos O S Sorzano; Jose Maria Carazo
Journal:  Bioinformatics       Date:  2021-05-20       Impact factor: 6.931

4.  Efficient Flexible Fitting Refinement with Automatic Error Fixing for De Novo Structure Modeling from Cryo-EM Density Maps.

Authors:  Takaharu Mori; Genki Terashi; Daisuke Matsuoka; Daisuke Kihara; Yuji Sugita
Journal:  J Chem Inf Model       Date:  2021-06-18       Impact factor: 6.162

5.  EMDA: A Python package for Electron Microscopy Data Analysis.

Authors:  Rangana Warshamanage; Keitaro Yamashita; Garib N Murshudov
Journal:  J Struct Biol       Date:  2021-12-13       Impact factor: 2.867

Review 6.  Simulation and Machine Learning Methods for Ion-Channel Structure Determination, Mechanistic Studies and Drug Design.

Authors:  Zhengdan Zhu; Zhenfeng Deng; Qinrui Wang; Yuhang Wang; Duo Zhang; Ruihan Xu; Lvjun Guo; Han Wen
Journal:  Front Pharmacol       Date:  2022-06-28       Impact factor: 5.988

7.  Higher resolution in cryo-EM by the combination of macromolecular prior knowledge and image-processing tools.

Authors:  Erney Ramírez-Aportela; Jose M Carazo; Carlos Oscar S Sorzano
Journal:  IUCrJ       Date:  2022-08-03       Impact factor: 5.588

  7 in total

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