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Deducing fast electron density changes in randomly orientated uncrystallized biomolecules in a pump–probe experiment

We propose a method for deducing time-resolved structural changes in uncrystallized biomolecules in solution. The method relies on measuring the angular correlations of the intensities, when averaged over a large number of diffraction patterns from randomly oriented biomolecules in solution in a liq...

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Detalles Bibliográficos
Autores principales: Pande, K., Schwander, P., Schmidt, M., Saldin, D. K.
Formato: Online Artículo Texto
Lenguaje:English
Publicado: The Royal Society 2014
Materias:
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC4052868/
https://www.ncbi.nlm.nih.gov/pubmed/24914159
http://dx.doi.org/10.1098/rstb.2013.0332
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author Pande, K.
Schwander, P.
Schmidt, M.
Saldin, D. K.
author_facet Pande, K.
Schwander, P.
Schmidt, M.
Saldin, D. K.
author_sort Pande, K.
collection PubMed
description We propose a method for deducing time-resolved structural changes in uncrystallized biomolecules in solution. The method relies on measuring the angular correlations of the intensities, when averaged over a large number of diffraction patterns from randomly oriented biomolecules in solution in a liquid solvent. The experiment is somewhat like a pump–probe version of an experiment on small angle X-ray scattering, except that the data expected by the algorithm are not just the radial variation of the averaged intensities. The differences of these correlation functions as measured from a photoexcited and dark structure enable the direct calculation of the difference electron density with a knowledge of only the dark structure. We exploit a linear relation we derive between the difference in these correlation functions and the difference electron density, applicable for small structural changes.
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spelling pubmed-40528682014-07-17 Deducing fast electron density changes in randomly orientated uncrystallized biomolecules in a pump–probe experiment Pande, K. Schwander, P. Schmidt, M. Saldin, D. K. Philos Trans R Soc Lond B Biol Sci Part II: Technique development We propose a method for deducing time-resolved structural changes in uncrystallized biomolecules in solution. The method relies on measuring the angular correlations of the intensities, when averaged over a large number of diffraction patterns from randomly oriented biomolecules in solution in a liquid solvent. The experiment is somewhat like a pump–probe version of an experiment on small angle X-ray scattering, except that the data expected by the algorithm are not just the radial variation of the averaged intensities. The differences of these correlation functions as measured from a photoexcited and dark structure enable the direct calculation of the difference electron density with a knowledge of only the dark structure. We exploit a linear relation we derive between the difference in these correlation functions and the difference electron density, applicable for small structural changes. The Royal Society 2014-07-17 /pmc/articles/PMC4052868/ /pubmed/24914159 http://dx.doi.org/10.1098/rstb.2013.0332 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
Pande, K.
Schwander, P.
Schmidt, M.
Saldin, D. K.
Deducing fast electron density changes in randomly orientated uncrystallized biomolecules in a pump–probe experiment
title Deducing fast electron density changes in randomly orientated uncrystallized biomolecules in a pump–probe experiment
title_full Deducing fast electron density changes in randomly orientated uncrystallized biomolecules in a pump–probe experiment
title_fullStr Deducing fast electron density changes in randomly orientated uncrystallized biomolecules in a pump–probe experiment
title_full_unstemmed Deducing fast electron density changes in randomly orientated uncrystallized biomolecules in a pump–probe experiment
title_short Deducing fast electron density changes in randomly orientated uncrystallized biomolecules in a pump–probe experiment
title_sort deducing fast electron density changes in randomly orientated uncrystallized biomolecules in a pump–probe experiment
topic Part II: Technique development
url https://www.ncbi.nlm.nih.gov/pmc/articles/PMC4052868/
https://www.ncbi.nlm.nih.gov/pubmed/24914159
http://dx.doi.org/10.1098/rstb.2013.0332
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