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Combining X-ray and neutron crystallography with spectroscopy
X-ray protein crystallography has, through the determination of the three-dimensional structures of enzymes and their complexes, been essential to the understanding of biological chemistry. However, as X-rays are scattered by electrons, the technique has difficulty locating the presence and position...
Autores principales: | , , , |
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Formato: | Online Artículo Texto |
Lenguaje: | English |
Publicado: |
International Union of Crystallography
2017
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Materias: | |
Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC5297917/ https://www.ncbi.nlm.nih.gov/pubmed/28177310 http://dx.doi.org/10.1107/S2059798316016314 |
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author | Kwon, Hanna Smith, Oliver Raven, Emma Lloyd Moody, Peter C. E. |
author_facet | Kwon, Hanna Smith, Oliver Raven, Emma Lloyd Moody, Peter C. E. |
author_sort | Kwon, Hanna |
collection | PubMed |
description | X-ray protein crystallography has, through the determination of the three-dimensional structures of enzymes and their complexes, been essential to the understanding of biological chemistry. However, as X-rays are scattered by electrons, the technique has difficulty locating the presence and position of H atoms (and cannot locate H(+) ions), knowledge of which is often crucially important for the understanding of enzyme mechanism. Furthermore, X-ray irradiation, through photoelectronic effects, will perturb the redox state in the crystal. By using single-crystal spectrophotometry, reactions taking place in the crystal can be monitored, either to trap intermediates or follow photoreduction during X-ray data collection. By using neutron crystallography, the positions of H atoms can be located, as it is the nuclei rather than the electrons that scatter neutrons, and the scattering length is not determined by the atomic number. Combining the two techniques allows much greater insight into both reaction mechanism and X-ray-induced photoreduction. |
format | Online Article Text |
id | pubmed-5297917 |
institution | National Center for Biotechnology Information |
language | English |
publishDate | 2017 |
publisher | International Union of Crystallography |
record_format | MEDLINE/PubMed |
spelling | pubmed-52979172017-02-17 Combining X-ray and neutron crystallography with spectroscopy Kwon, Hanna Smith, Oliver Raven, Emma Lloyd Moody, Peter C. E. Acta Crystallogr D Struct Biol Research Papers X-ray protein crystallography has, through the determination of the three-dimensional structures of enzymes and their complexes, been essential to the understanding of biological chemistry. However, as X-rays are scattered by electrons, the technique has difficulty locating the presence and position of H atoms (and cannot locate H(+) ions), knowledge of which is often crucially important for the understanding of enzyme mechanism. Furthermore, X-ray irradiation, through photoelectronic effects, will perturb the redox state in the crystal. By using single-crystal spectrophotometry, reactions taking place in the crystal can be monitored, either to trap intermediates or follow photoreduction during X-ray data collection. By using neutron crystallography, the positions of H atoms can be located, as it is the nuclei rather than the electrons that scatter neutrons, and the scattering length is not determined by the atomic number. Combining the two techniques allows much greater insight into both reaction mechanism and X-ray-induced photoreduction. International Union of Crystallography 2017-02-01 /pmc/articles/PMC5297917/ /pubmed/28177310 http://dx.doi.org/10.1107/S2059798316016314 Text en © Kwon 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 Kwon, Hanna Smith, Oliver Raven, Emma Lloyd Moody, Peter C. E. Combining X-ray and neutron crystallography with spectroscopy |
title | Combining X-ray and neutron crystallography with spectroscopy |
title_full | Combining X-ray and neutron crystallography with spectroscopy |
title_fullStr | Combining X-ray and neutron crystallography with spectroscopy |
title_full_unstemmed | Combining X-ray and neutron crystallography with spectroscopy |
title_short | Combining X-ray and neutron crystallography with spectroscopy |
title_sort | combining x-ray and neutron crystallography with spectroscopy |
topic | Research Papers |
url | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC5297917/ https://www.ncbi.nlm.nih.gov/pubmed/28177310 http://dx.doi.org/10.1107/S2059798316016314 |
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