Cargando…
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...
Autores principales: | , , , |
---|---|
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 |
_version_ | 1782320301777879040 |
---|---|
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. |
format | Online Article Text |
id | pubmed-4052868 |
institution | National Center for Biotechnology Information |
language | English |
publishDate | 2014 |
publisher | The Royal Society |
record_format | MEDLINE/PubMed |
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 |
work_keys_str_mv | AT pandek deducingfastelectrondensitychangesinrandomlyorientateduncrystallizedbiomoleculesinapumpprobeexperiment AT schwanderp deducingfastelectrondensitychangesinrandomlyorientateduncrystallizedbiomoleculesinapumpprobeexperiment AT schmidtm deducingfastelectrondensitychangesinrandomlyorientateduncrystallizedbiomoleculesinapumpprobeexperiment AT saldindk deducingfastelectrondensitychangesinrandomlyorientateduncrystallizedbiomoleculesinapumpprobeexperiment |