Cargando…

RCrane: semi-automated RNA model building

RNA crystals typically diffract to much lower resolutions than protein crystals. This low-resolution diffraction results in unclear density maps, which cause considerable difficulties during the model-building process. These difficulties are exacerbated by the lack of computational tools for RNA mod...

Descripción completa

Detalles Bibliográficos
Autores principales: Keating, Kevin S., Pyle, Anna Marie
Formato: Online Artículo Texto
Lenguaje:English
Publicado: International Union of Crystallography 2012
Materias:
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3413212/
https://www.ncbi.nlm.nih.gov/pubmed/22868764
http://dx.doi.org/10.1107/S0907444912018549
_version_ 1782240040382889984
author Keating, Kevin S.
Pyle, Anna Marie
author_facet Keating, Kevin S.
Pyle, Anna Marie
author_sort Keating, Kevin S.
collection PubMed
description RNA crystals typically diffract to much lower resolutions than protein crystals. This low-resolution diffraction results in unclear density maps, which cause considerable difficulties during the model-building process. These difficulties are exacerbated by the lack of computational tools for RNA modeling. Here, RCrane, a tool for the partially automated building of RNA into electron-density maps of low or intermediate resolution, is presented. This tool works within Coot, a common program for macromolecular model building. RCrane helps crystallographers to place phosphates and bases into electron density and then automatically predicts and builds the detailed all-atom structure of the traced nucleotides. RCrane then allows the crystallographer to review the newly built structure and select alternative backbone conformations where desired. This tool can also be used to automatically correct the backbone structure of previously built nucleotides. These automated corrections can fix incorrect sugar puckers, steric clashes and other structural problems.
format Online
Article
Text
id pubmed-3413212
institution National Center for Biotechnology Information
language English
publishDate 2012
publisher International Union of Crystallography
record_format MEDLINE/PubMed
spelling pubmed-34132122012-08-07 RCrane: semi-automated RNA model building Keating, Kevin S. Pyle, Anna Marie Acta Crystallogr D Biol Crystallogr Research Papers RNA crystals typically diffract to much lower resolutions than protein crystals. This low-resolution diffraction results in unclear density maps, which cause considerable difficulties during the model-building process. These difficulties are exacerbated by the lack of computational tools for RNA modeling. Here, RCrane, a tool for the partially automated building of RNA into electron-density maps of low or intermediate resolution, is presented. This tool works within Coot, a common program for macromolecular model building. RCrane helps crystallographers to place phosphates and bases into electron density and then automatically predicts and builds the detailed all-atom structure of the traced nucleotides. RCrane then allows the crystallographer to review the newly built structure and select alternative backbone conformations where desired. This tool can also be used to automatically correct the backbone structure of previously built nucleotides. These automated corrections can fix incorrect sugar puckers, steric clashes and other structural problems. International Union of Crystallography 2012-08-01 2012-07-17 /pmc/articles/PMC3413212/ /pubmed/22868764 http://dx.doi.org/10.1107/S0907444912018549 Text en © Keating & Pyle 2012 http://creativecommons.org/licenses/by/2.0/uk/ 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.
spellingShingle Research Papers
Keating, Kevin S.
Pyle, Anna Marie
RCrane: semi-automated RNA model building
title RCrane: semi-automated RNA model building
title_full RCrane: semi-automated RNA model building
title_fullStr RCrane: semi-automated RNA model building
title_full_unstemmed RCrane: semi-automated RNA model building
title_short RCrane: semi-automated RNA model building
title_sort rcrane: semi-automated rna model building
topic Research Papers
url https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3413212/
https://www.ncbi.nlm.nih.gov/pubmed/22868764
http://dx.doi.org/10.1107/S0907444912018549
work_keys_str_mv AT keatingkevins rcranesemiautomatedrnamodelbuilding
AT pyleannamarie rcranesemiautomatedrnamodelbuilding