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Phasing coherently illuminated nanocrystals bounded by partial unit cells

With the use of highly coherent femtosecond X-ray pulses from a free-electron laser, it is possible to record protein nanocrystal diffraction patterns with far more information than is present in conventional crystallographic diffraction data. It has been suggested that diffraction phases may be ret...

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Autores principales: Kirian, Richard A., Bean, Richard J., Beyerlein, Kenneth R., Yefanov, Oleksandr M., White, Thomas A., Barty, Anton, Chapman, Henry N.
Formato: Online Artículo Texto
Lenguaje:English
Publicado: The Royal Society 2014
Materias:
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC4052867/
https://www.ncbi.nlm.nih.gov/pubmed/24914158
http://dx.doi.org/10.1098/rstb.2013.0331
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author Kirian, Richard A.
Bean, Richard J.
Beyerlein, Kenneth R.
Yefanov, Oleksandr M.
White, Thomas A.
Barty, Anton
Chapman, Henry N.
author_facet Kirian, Richard A.
Bean, Richard J.
Beyerlein, Kenneth R.
Yefanov, Oleksandr M.
White, Thomas A.
Barty, Anton
Chapman, Henry N.
author_sort Kirian, Richard A.
collection PubMed
description With the use of highly coherent femtosecond X-ray pulses from a free-electron laser, it is possible to record protein nanocrystal diffraction patterns with far more information than is present in conventional crystallographic diffraction data. It has been suggested that diffraction phases may be retrieved from such data via iterative algorithms, without the use of a priori information and without restrictions on resolution. Here, we investigate the extension of this approach to nanocrystals with edge terminations that produce partial unit cells, and hence cannot be described by a common repeating unit cell. In this situation, the phase problem described in previous work must be reformulated. We demonstrate an approximate solution to this phase problem for crystals with random edge terminations.
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spelling pubmed-40528672014-07-17 Phasing coherently illuminated nanocrystals bounded by partial unit cells Kirian, Richard A. Bean, Richard J. Beyerlein, Kenneth R. Yefanov, Oleksandr M. White, Thomas A. Barty, Anton Chapman, Henry N. Philos Trans R Soc Lond B Biol Sci Part II: Technique development With the use of highly coherent femtosecond X-ray pulses from a free-electron laser, it is possible to record protein nanocrystal diffraction patterns with far more information than is present in conventional crystallographic diffraction data. It has been suggested that diffraction phases may be retrieved from such data via iterative algorithms, without the use of a priori information and without restrictions on resolution. Here, we investigate the extension of this approach to nanocrystals with edge terminations that produce partial unit cells, and hence cannot be described by a common repeating unit cell. In this situation, the phase problem described in previous work must be reformulated. We demonstrate an approximate solution to this phase problem for crystals with random edge terminations. The Royal Society 2014-07-17 /pmc/articles/PMC4052867/ /pubmed/24914158 http://dx.doi.org/10.1098/rstb.2013.0331 Text en http://creativecommons.org/licenses/by/3.0/ © 2014 The Authors. Published by the Royal Society under the terms of the Creative Commons Attribution License http://creativecommons.org/licenses/by/3.0/, which permits unrestricted use, provided the original author and source are credited.
spellingShingle Part II: Technique development
Kirian, Richard A.
Bean, Richard J.
Beyerlein, Kenneth R.
Yefanov, Oleksandr M.
White, Thomas A.
Barty, Anton
Chapman, Henry N.
Phasing coherently illuminated nanocrystals bounded by partial unit cells
title Phasing coherently illuminated nanocrystals bounded by partial unit cells
title_full Phasing coherently illuminated nanocrystals bounded by partial unit cells
title_fullStr Phasing coherently illuminated nanocrystals bounded by partial unit cells
title_full_unstemmed Phasing coherently illuminated nanocrystals bounded by partial unit cells
title_short Phasing coherently illuminated nanocrystals bounded by partial unit cells
title_sort phasing coherently illuminated nanocrystals bounded by partial unit cells
topic Part II: Technique development
url https://www.ncbi.nlm.nih.gov/pmc/articles/PMC4052867/
https://www.ncbi.nlm.nih.gov/pubmed/24914158
http://dx.doi.org/10.1098/rstb.2013.0331
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