Macromolecular X-ray structure determination using weak single-wavelength anomalous data

A likelihood-based method for determining the sub-structure of anomalously-scattering atoms in macromolecular crystals can allow successful structure determination by single-wavelength anomalous diffraction (SAD) X-ray analysis with weak anomalous signal. Along with use of partial models and electro...

Descripción completa

Detalles Bibliográficos
Autores principales: Bunkóczi, Gábor, McCoy, Airlie J., Echols, Nathaniel, Grosse-Kunstleve, Ralf W., Adams, Paul D., Holton, James M., Read, Randy J., Terwilliger, Thomas C.
Formato: Online Artículo Texto
Lenguaje:English
Publicado: 2014
Materias:
Article
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC4312553/
https://www.ncbi.nlm.nih.gov/pubmed/25532136
http://dx.doi.org/10.1038/nmeth.3212
_version_ 1782355131080114176
author Bunkóczi, Gábor
McCoy, Airlie J.
Echols, Nathaniel
Grosse-Kunstleve, Ralf W.
Adams, Paul D.
Holton, James M.
Read, Randy J.
Terwilliger, Thomas C.
author_facet Bunkóczi, Gábor
McCoy, Airlie J.
Echols, Nathaniel
Grosse-Kunstleve, Ralf W.
Adams, Paul D.
Holton, James M.
Read, Randy J.
Terwilliger, Thomas C.
author_sort Bunkóczi, Gábor
collection PubMed
description A likelihood-based method for determining the sub-structure of anomalously-scattering atoms in macromolecular crystals can allow successful structure determination by single-wavelength anomalous diffraction (SAD) X-ray analysis with weak anomalous signal. Along with use of partial models and electron density maps in searches for anomalously-scattering atoms, testing of alternative values of parameters, and parallelized automated model-building, this method has the potential for extending the applicability of the SAD method in challenging cases.
format Online
Article
Text
id pubmed-4312553
institution National Center for Biotechnology Information
language English
publishDate 2014
record_format MEDLINE/PubMed
spelling pubmed-43125532015-08-01 Macromolecular X-ray structure determination using weak single-wavelength anomalous data Bunkóczi, Gábor McCoy, Airlie J. Echols, Nathaniel Grosse-Kunstleve, Ralf W. Adams, Paul D. Holton, James M. Read, Randy J. Terwilliger, Thomas C. Nat Methods Article A likelihood-based method for determining the sub-structure of anomalously-scattering atoms in macromolecular crystals can allow successful structure determination by single-wavelength anomalous diffraction (SAD) X-ray analysis with weak anomalous signal. Along with use of partial models and electron density maps in searches for anomalously-scattering atoms, testing of alternative values of parameters, and parallelized automated model-building, this method has the potential for extending the applicability of the SAD method in challenging cases. 2014-12-22 2015-02 /pmc/articles/PMC4312553/ /pubmed/25532136 http://dx.doi.org/10.1038/nmeth.3212 Text en http://www.nature.com/authors/editorial_policies/license.html#terms Users may view, print, copy, and download text and data-mine the content in such documents, for the purposes of academic research, subject always to the full Conditions of use:http://www.nature.com/authors/editorial_policies/license.html#terms
spellingShingle Article
Bunkóczi, Gábor
McCoy, Airlie J.
Echols, Nathaniel
Grosse-Kunstleve, Ralf W.
Adams, Paul D.
Holton, James M.
Read, Randy J.
Terwilliger, Thomas C.
Macromolecular X-ray structure determination using weak single-wavelength anomalous data
title Macromolecular X-ray structure determination using weak single-wavelength anomalous data
title_full Macromolecular X-ray structure determination using weak single-wavelength anomalous data
title_fullStr Macromolecular X-ray structure determination using weak single-wavelength anomalous data
title_full_unstemmed Macromolecular X-ray structure determination using weak single-wavelength anomalous data
title_short Macromolecular X-ray structure determination using weak single-wavelength anomalous data
title_sort macromolecular x-ray structure determination using weak single-wavelength anomalous data
topic Article
url https://www.ncbi.nlm.nih.gov/pmc/articles/PMC4312553/
https://www.ncbi.nlm.nih.gov/pubmed/25532136
http://dx.doi.org/10.1038/nmeth.3212
work_keys_str_mv AT bunkoczigabor macromolecularxraystructuredeterminationusingweaksinglewavelengthanomalousdata
AT mccoyairliej macromolecularxraystructuredeterminationusingweaksinglewavelengthanomalousdata
AT echolsnathaniel macromolecularxraystructuredeterminationusingweaksinglewavelengthanomalousdata
AT grossekunstleveralfw macromolecularxraystructuredeterminationusingweaksinglewavelengthanomalousdata
AT adamspauld macromolecularxraystructuredeterminationusingweaksinglewavelengthanomalousdata
AT holtonjamesm macromolecularxraystructuredeterminationusingweaksinglewavelengthanomalousdata
AT readrandyj macromolecularxraystructuredeterminationusingweaksinglewavelengthanomalousdata
AT terwilligerthomasc macromolecularxraystructuredeterminationusingweaksinglewavelengthanomalousdata

Ejemplares similares