ZART: A Novel Multiresolution Reconstruction Algorithm with
Motion-blur Correction for Single Particle Analysis

J 2023

ZART: A Novel Multiresolution Reconstruction Algorithm with Motion-blur Correction for Single Particle Analysis

HERREROS, David, Jakub KISKA, Erney RAMÍREZ-APORTELA, Jiří FILIPOVIČ, José María CARAZO et. al.

Basic information

Original name

ZART: A Novel Multiresolution Reconstruction Algorithm with Motion-blur Correction for Single Particle Analysis

Authors

HERREROS, David (724 Spain), Jakub KISKA (703 Slovakia, belonging to the institution), Erney RAMÍREZ-APORTELA (724 Spain), Jiří FILIPOVIČ (203 Czech Republic, guarantor, belonging to the institution), José María CARAZO (724 Spain) and Carlos Oscar SORZANO (724 Spain)

Edition

Journal of Molecular Biology, Elsevier, 2023, 0022-2836

Other information

Language

English

Type of outcome

Článek v odborném periodiku

Field of Study

10608 Biochemistry and molecular biology

Country of publisher

Netherlands

Confidentiality degree

není předmětem státního či obchodního tajemství

References:

URL

Impact factor

Impact factor: 5.600 in 2022

RIV identification code

RIV/00216224:14610/23:00130611

Organization unit

Institute of Computer Science

DOI

http://dx.doi.org/10.1016/j.jmb.2023.168088

UT WoS

000999014800001

Keywords in English

Cryo-Electron Microscopy (CryoEM); spherical harmonics; Zernike polynomials; map reconstruction; Zernike3D-based Algebraic Reconstruction Technique (ZART)

Abstract

V originále

One of the main purposes of CryoEM Single Particle Analysis is to reconstruct the three-dimensional structure of a macromolecule thanks to the acquisition of many particle images representing different poses of the sample. By estimating the orientation of each projected particle, it is possible to recover the underlying 3D volume by multiple 3D reconstruction methods, usually working either in Fourier or in real space. However, the reconstruction from the projected images works under the assumption that all particles in the dataset correspond to the same conformation of the macromolecule. Although this requisite holds for some macromolecules, it is not true for flexible specimens, leading to motion-induced artefacts in the reconstructed CryoEM maps. In this work, we introduce a new Algebraic Reconstruction Technique called ZART, which is able to include continuous flexibility information during the reconstruction process to improve local resolution and reduce motion blurring. The conformational changes are modelled through Zernike3D polynomials. Our implementation allows for a multiresolution description of the macromolecule adapting itself to the local resolution of the reconstructed map. In addition, ZART has also proven to be a useful algorithm in cases where flexibility is not so dominant, as it improves the overall aspect of the reconstructed maps by improving their local and global resolution.

Links

LM2018140, research and development project

Name: e-Infrastruktura CZ (Acronym: e-INFRA CZ)

Investor: Ministry of Education, Youth and Sports of the CR

Citovat

HERREROS, David, Jakub KISKA, Erney RAMÍREZ-APORTELA, Jiří FILIPOVIČ, José María CARAZO and Carlos Oscar SORZANO. ZART: A Novel Multiresolution Reconstruction Algorithm with Motion-blur Correction for Single Particle Analysis. Journal of Molecular Biology. Elsevier, 2023, vol. 435, No 9, p. 1-14. ISSN 0022-2836. Available from: https://dx.doi.org/10.1016/j.jmb.2023.168088.

@article{2276179,
   author = {Herreros, David and Kiska, Jakub and RamírezandAportela, Erney and Filipovič, Jiří and Carazo, José María and Sorzano, Carlos Oscar},
   article_number = {9},
   doi = {http://dx.doi.org/10.1016/j.jmb.2023.168088},
   keywords = {Cryo-Electron Microscopy (CryoEM); spherical harmonics; Zernike polynomials; map reconstruction; Zernike3D-based Algebraic Reconstruction Technique (ZART)},
   language = {eng},
   issn = {0022-2836},
   journal = {Journal of Molecular Biology},
   title = {ZART: A Novel Multiresolution Reconstruction Algorithm with Motion-blur Correction for Single Particle Analysis},
   url = {https://www.sciencedirect.com/science/article/pii/S002228362300150X?via%3Dihub},
   volume = {435},
   year = {2023}
}

TY  - JOUR
ID  - 2276179
AU  - Herreros, David - Kiska, Jakub - Ramírez-Aportela, Erney - Filipovič, Jiří - Carazo, José María - Sorzano, Carlos Oscar
PY  - 2023
TI  - ZART: A Novel Multiresolution Reconstruction Algorithm with Motion-blur Correction for Single Particle Analysis
JF  - Journal of Molecular Biology
VL  - 435
IS  - 9
SP  - 1-14
EP  - 1-14
PB  - Elsevier
SN  - 00222836
KW  - Cryo-Electron Microscopy (CryoEM)
KW  - spherical harmonics
KW  - Zernike polynomials
KW  - map reconstruction
KW  - Zernike3D-based Algebraic Reconstruction Technique (ZART)
UR  - https://www.sciencedirect.com/science/article/pii/S002228362300150X?via%3Dihub
N2  - One of the main purposes of CryoEM Single Particle Analysis is to reconstruct the three-dimensional structure of a macromolecule thanks to the acquisition of many particle images representing different poses of the sample. By estimating the orientation of each projected particle, it is possible to recover the underlying 3D volume by multiple 3D reconstruction methods, usually working either in Fourier or in real space. However, the reconstruction from the projected images works under the assumption that all particles in the dataset correspond to the same conformation of the macromolecule. Although this requisite holds for some macromolecules, it is not true for flexible specimens, leading to motion-induced artefacts in the reconstructed CryoEM maps. In this work, we introduce a new Algebraic Reconstruction Technique called ZART, which is able to include continuous flexibility information during the reconstruction process to improve local resolution and reduce motion blurring. The conformational changes are modelled through Zernike3D polynomials. Our implementation allows for a multiresolution description of the macromolecule adapting itself to the local resolution of the reconstructed map. In addition, ZART has also proven to be a useful algorithm in cases where flexibility is not so dominant, as it improves the overall aspect of the reconstructed maps by improving their local and global resolution.
ER  -

HERREROS, David, Jakub KISKA, Erney RAMÍREZ-APORTELA, Jiří FILIPOVIČ, José María CARAZO and Carlos Oscar SORZANO. ZART: A Novel Multiresolution Reconstruction Algorithm with Motion-blur Correction for Single Particle Analysis. \textit{Journal of Molecular Biology}. Elsevier, 2023, vol.~435, No~9, p.~1-14. ISSN~0022-2836. Available from: https://dx.doi.org/10.1016/j.jmb.2023.168088.

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