Rapid model building of α-helices in electron-density maps

doi:10.1107/S0907444910000314

Title: Rapid model building of α-helices in electron-density maps

Journal Article · Mon Mar 01 00:00:00 EST 2010 · Acta Crystallographica. Section D: Biological Crystallography

DOI:https://doi.org/10.1107/S0907444910000314· OSTI ID:22347928

Terwilliger, Thomas C., E-mail: terwilliger@lanl.gov ^[1]

Los Alamos National Laboratory, Los Alamos, NM 87545 (United States)

A method for rapid model building of α-helices at moderate resolution is presented. A method for the identification of α-helices in electron-density maps at low resolution followed by interpretation at moderate to high resolution is presented. Rapid identification is achieved at low resolution, where α-helices appear as tubes of density. The positioning and direction of the α-helices is obtained at moderate to high resolution, where the positions of side chains can be seen. The method was tested on a set of 42 experimental electron-density maps at resolutions ranging from 1.5 to 3.8 Å. An average of 63% of the α-helical residues in these proteins were built and an average of 76% of the residues built matched helical residues in the refined models of the proteins. The overall average r.m.s.d. between main-chain atoms in the modeled α-helices and the nearest atom with the same name in the refined models of the proteins was 1.3 Å.

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OSTI ID:: 22347928

Journal Information:: Acta Crystallographica. Section D: Biological Crystallography, Vol. 66, Issue Pt 3; Other Information: PMCID: PMC2827347; PMID: 20179338; PUBLISHER-ID: dz5182; OAI: oai:pubmedcentral.nih.gov:2827347; Copyright (c) Terwilliger 2010; This is an open-access article distributed under the terms of the Creative Commons Attribution Licence, which permits unrestricted use, distribution, and reproduction in any medium, provided the original authors and source are cited.; Country of input: International Atomic Energy Agency (IAEA); ISSN 0907-4449

Country of Publication:: Denmark

Language:: English

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