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Local computational methods to improve the interpretability and analysis of cryo-EM maps.

Publication ,  Journal Article
Kaur, S; Gomez-Blanco, J; Khalifa, AAZ; Adinarayanan, S; Sanchez-Garcia, R; Wrapp, D; McLellan, JS; Bui, KH; Vargas, J
Published in: Nat Commun
February 23, 2021

Cryo-electron microscopy (cryo-EM) maps usually show heterogeneous distributions of B-factors and electron density occupancies and are typically B-factor sharpened to improve their contrast and interpretability at high-resolutions. However, 'over-sharpening' due to the application of a single global B-factor can distort processed maps causing connected densities to appear broken and disconnected. This issue limits the interpretability of cryo-EM maps, i.e. ab initio modelling. In this work, we propose 1) approaches to enhance high-resolution features of cryo-EM maps, while preventing map distortions and 2) methods to obtain local B-factors and electron density occupancy maps. These algorithms have as common link the use of the spiral phase transformation and are called LocSpiral, LocBSharpen, LocBFactor and LocOccupancy. Our results, which include improved maps of recent SARS-CoV-2 structures, show that our methods can improve the interpretability and analysis of obtained reconstructions.

Duke Scholars

Published In

Nat Commun

DOI

EISSN

2041-1723

Publication Date

February 23, 2021

Volume

12

Issue

1

Start / End Page

1240

Location

England
 

Citation

APA
Chicago
ICMJE
MLA
NLM
Kaur, S., Gomez-Blanco, J., Khalifa, A. A. Z., Adinarayanan, S., Sanchez-Garcia, R., Wrapp, D., … Vargas, J. (2021). Local computational methods to improve the interpretability and analysis of cryo-EM maps. Nat Commun, 12(1), 1240. https://doi.org/10.1038/s41467-021-21509-5
Kaur, Satinder, Josue Gomez-Blanco, Ahmad A. Z. Khalifa, Swathi Adinarayanan, Ruben Sanchez-Garcia, Daniel Wrapp, Jason S. McLellan, Khanh Huy Bui, and Javier Vargas. “Local computational methods to improve the interpretability and analysis of cryo-EM maps.Nat Commun 12, no. 1 (February 23, 2021): 1240. https://doi.org/10.1038/s41467-021-21509-5.
Kaur S, Gomez-Blanco J, Khalifa AAZ, Adinarayanan S, Sanchez-Garcia R, Wrapp D, et al. Local computational methods to improve the interpretability and analysis of cryo-EM maps. Nat Commun. 2021 Feb 23;12(1):1240.
Kaur, Satinder, et al. “Local computational methods to improve the interpretability and analysis of cryo-EM maps.Nat Commun, vol. 12, no. 1, Feb. 2021, p. 1240. Pubmed, doi:10.1038/s41467-021-21509-5.
Kaur S, Gomez-Blanco J, Khalifa AAZ, Adinarayanan S, Sanchez-Garcia R, Wrapp D, McLellan JS, Bui KH, Vargas J. Local computational methods to improve the interpretability and analysis of cryo-EM maps. Nat Commun. 2021 Feb 23;12(1):1240.

Published In

Nat Commun

DOI

EISSN

2041-1723

Publication Date

February 23, 2021

Volume

12

Issue

1

Start / End Page

1240

Location

England