X-ray dynamical diffraction in amino acid crystals: a step towards improving structural resolution of biological molecules via physical phase measurements

In this work, experimental and data analysis procedures were developed and applied for studying amino acid crystals by means of X-ray phase measurements. The results clearly demonstrated the sensitivity of invariant triplet phases to electronic charge distribution in d-alanine crystals, providing us...

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Autores principales: Morelhão, Sérgio L., Remédios, Cláudio M. R., Calligaris, Guilherme A., Nisbet, Gareth
Formato: Online Artículo Texto
Lenguaje:English
Publicado: International Union of Crystallography 2017
Materias:
Research Papers
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC5458588/
https://www.ncbi.nlm.nih.gov/pubmed/28656034
http://dx.doi.org/10.1107/S1600576717004757
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author Morelhão, Sérgio L.
Remédios, Cláudio M. R.
Calligaris, Guilherme A.
Nisbet, Gareth
author_facet Morelhão, Sérgio L.
Remédios, Cláudio M. R.
Calligaris, Guilherme A.
Nisbet, Gareth
author_sort Morelhão, Sérgio L.
collection PubMed
description In this work, experimental and data analysis procedures were developed and applied for studying amino acid crystals by means of X-ray phase measurements. The results clearly demonstrated the sensitivity of invariant triplet phases to electronic charge distribution in d-alanine crystals, providing useful information for molecular dynamics studies of intermolecular forces. The feasibility of using phase measurements to investigate radiation damage mechanisms is also discussed on experimental and theoretical grounds.
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spelling pubmed-54585882017-06-27 X-ray dynamical diffraction in amino acid crystals: a step towards improving structural resolution of biological molecules via physical phase measurements Morelhão, Sérgio L. Remédios, Cláudio M. R. Calligaris, Guilherme A. Nisbet, Gareth J Appl Crystallogr Research Papers In this work, experimental and data analysis procedures were developed and applied for studying amino acid crystals by means of X-ray phase measurements. The results clearly demonstrated the sensitivity of invariant triplet phases to electronic charge distribution in d-alanine crystals, providing useful information for molecular dynamics studies of intermolecular forces. The feasibility of using phase measurements to investigate radiation damage mechanisms is also discussed on experimental and theoretical grounds. International Union of Crystallography 2017-05-08 /pmc/articles/PMC5458588/ /pubmed/28656034 http://dx.doi.org/10.1107/S1600576717004757 Text en © Sérgio L. Morelhão et al. 2017 http://creativecommons.org/licenses/by/2.0/uk/ This is an open-access article distributed under the terms of the Creative Commons Attribution (CC-BY) Licence, which permits unrestricted use, distribution, and reproduction in any medium, provided the original authors and source are cited.http://creativecommons.org/licenses/by/2.0/uk/
spellingShingle Research Papers
Morelhão, Sérgio L.
Remédios, Cláudio M. R.
Calligaris, Guilherme A.
Nisbet, Gareth
X-ray dynamical diffraction in amino acid crystals: a step towards improving structural resolution of biological molecules via physical phase measurements
title X-ray dynamical diffraction in amino acid crystals: a step towards improving structural resolution of biological molecules via physical phase measurements
title_full X-ray dynamical diffraction in amino acid crystals: a step towards improving structural resolution of biological molecules via physical phase measurements
title_fullStr X-ray dynamical diffraction in amino acid crystals: a step towards improving structural resolution of biological molecules via physical phase measurements
title_full_unstemmed X-ray dynamical diffraction in amino acid crystals: a step towards improving structural resolution of biological molecules via physical phase measurements
title_short X-ray dynamical diffraction in amino acid crystals: a step towards improving structural resolution of biological molecules via physical phase measurements
title_sort x-ray dynamical diffraction in amino acid crystals: a step towards improving structural resolution of biological molecules via physical phase measurements
topic Research Papers
url https://www.ncbi.nlm.nih.gov/pmc/articles/PMC5458588/
https://www.ncbi.nlm.nih.gov/pubmed/28656034
http://dx.doi.org/10.1107/S1600576717004757
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