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Automatic local resolution-based sharpening of cryo-EM maps

MOTIVATION: Recent technological advances and computational developments have allowed the reconstruction of Cryo-Electron Microscopy (cryo-EM) maps at near-atomic resolution. On a typical workflow and once the cryo-EM map has been calculated, a sharpening process is usually performed to enhance map...

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Autores principales: Ramírez-Aportela, Erney, Vilas, Jose Luis, Glukhova, Alisa, Melero, Roberto, Conesa, Pablo, Martínez, Marta, Maluenda, David, Mota, Javier, Jiménez, Amaya, Vargas, Javier, Marabini, Roberto, Sexton, Patrick M, Carazo, Jose Maria, Sorzano, Carlos Oscar S
Formato: Online Artículo Texto
Lenguaje:English
Publicado: Oxford University Press 2019
Materias:
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC9883678/
https://www.ncbi.nlm.nih.gov/pubmed/31504163
http://dx.doi.org/10.1093/bioinformatics/btz671
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author Ramírez-Aportela, Erney
Vilas, Jose Luis
Glukhova, Alisa
Melero, Roberto
Conesa, Pablo
Martínez, Marta
Maluenda, David
Mota, Javier
Jiménez, Amaya
Vargas, Javier
Marabini, Roberto
Sexton, Patrick M
Carazo, Jose Maria
Sorzano, Carlos Oscar S
author_facet Ramírez-Aportela, Erney
Vilas, Jose Luis
Glukhova, Alisa
Melero, Roberto
Conesa, Pablo
Martínez, Marta
Maluenda, David
Mota, Javier
Jiménez, Amaya
Vargas, Javier
Marabini, Roberto
Sexton, Patrick M
Carazo, Jose Maria
Sorzano, Carlos Oscar S
author_sort Ramírez-Aportela, Erney
collection PubMed
description MOTIVATION: Recent technological advances and computational developments have allowed the reconstruction of Cryo-Electron Microscopy (cryo-EM) maps at near-atomic resolution. On a typical workflow and once the cryo-EM map has been calculated, a sharpening process is usually performed to enhance map visualization, a step that has proven very important in the key task of structural modeling. However, sharpening approaches, in general, neglects the local quality of the map, which is clearly suboptimal. RESULTS: Here, a new method for local sharpening of cryo-EM density maps is proposed. The algorithm, named LocalDeblur, is based on a local resolution-guided Wiener restoration approach of the original map. The method is fully automatic and, from the user point of view, virtually parameter-free, without requiring either a starting model or introducing any additional structure factor correction or boosting. Results clearly show a significant impact on map interpretability, greatly helping modeling. In particular, this local sharpening approach is especially suitable for maps that present a broad resolution range, as is often the case for membrane proteins or macromolecules with high flexibility, all of them otherwise very suitable and interesting specimens for cryo-EM. To our knowledge, and leaving out the use of local filters, it represents the first application of local resolution in cryo-EM sharpening. AVAILABILITY AND IMPLEMENTATION: The source code (LocalDeblur) can be found at https://github.com/I2PC/xmipp and can be run using Scipion (http://scipion.cnb.csic.es) (release numbers greater than or equal 1.2.1). SUPPLEMENTARY INFORMATION: Supplementary data are available at Bioinformatics online.
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spelling pubmed-98836782023-01-31 Automatic local resolution-based sharpening of cryo-EM maps Ramírez-Aportela, Erney Vilas, Jose Luis Glukhova, Alisa Melero, Roberto Conesa, Pablo Martínez, Marta Maluenda, David Mota, Javier Jiménez, Amaya Vargas, Javier Marabini, Roberto Sexton, Patrick M Carazo, Jose Maria Sorzano, Carlos Oscar S Bioinformatics Original Papers MOTIVATION: Recent technological advances and computational developments have allowed the reconstruction of Cryo-Electron Microscopy (cryo-EM) maps at near-atomic resolution. On a typical workflow and once the cryo-EM map has been calculated, a sharpening process is usually performed to enhance map visualization, a step that has proven very important in the key task of structural modeling. However, sharpening approaches, in general, neglects the local quality of the map, which is clearly suboptimal. RESULTS: Here, a new method for local sharpening of cryo-EM density maps is proposed. The algorithm, named LocalDeblur, is based on a local resolution-guided Wiener restoration approach of the original map. The method is fully automatic and, from the user point of view, virtually parameter-free, without requiring either a starting model or introducing any additional structure factor correction or boosting. Results clearly show a significant impact on map interpretability, greatly helping modeling. In particular, this local sharpening approach is especially suitable for maps that present a broad resolution range, as is often the case for membrane proteins or macromolecules with high flexibility, all of them otherwise very suitable and interesting specimens for cryo-EM. To our knowledge, and leaving out the use of local filters, it represents the first application of local resolution in cryo-EM sharpening. AVAILABILITY AND IMPLEMENTATION: The source code (LocalDeblur) can be found at https://github.com/I2PC/xmipp and can be run using Scipion (http://scipion.cnb.csic.es) (release numbers greater than or equal 1.2.1). SUPPLEMENTARY INFORMATION: Supplementary data are available at Bioinformatics online. Oxford University Press 2019-08-26 /pmc/articles/PMC9883678/ /pubmed/31504163 http://dx.doi.org/10.1093/bioinformatics/btz671 Text en © The Author(s) 2019. Published by Oxford University Press. https://creativecommons.org/licenses/by-nc/4.0/This is an Open Access article distributed under the terms of the Creative Commons Attribution Non-Commercial License (http://creativecommons.org/licenses/by-nc/4.0/ (https://creativecommons.org/licenses/by-nc/4.0/) ), which permits non-commercial re-use, distribution, and reproduction in any medium, provided the original work is properly cited. For commercial re-use, please contact journals.permissions@oup.com
spellingShingle Original Papers
Ramírez-Aportela, Erney
Vilas, Jose Luis
Glukhova, Alisa
Melero, Roberto
Conesa, Pablo
Martínez, Marta
Maluenda, David
Mota, Javier
Jiménez, Amaya
Vargas, Javier
Marabini, Roberto
Sexton, Patrick M
Carazo, Jose Maria
Sorzano, Carlos Oscar S
Automatic local resolution-based sharpening of cryo-EM maps
title Automatic local resolution-based sharpening of cryo-EM maps
title_full Automatic local resolution-based sharpening of cryo-EM maps
title_fullStr Automatic local resolution-based sharpening of cryo-EM maps
title_full_unstemmed Automatic local resolution-based sharpening of cryo-EM maps
title_short Automatic local resolution-based sharpening of cryo-EM maps
title_sort automatic local resolution-based sharpening of cryo-em maps
topic Original Papers
url https://www.ncbi.nlm.nih.gov/pmc/articles/PMC9883678/
https://www.ncbi.nlm.nih.gov/pubmed/31504163
http://dx.doi.org/10.1093/bioinformatics/btz671
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