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Start-to-end simulation of single-particle imaging using ultra-short pulses at the European X-ray Free-Electron Laser
Single-particle imaging with X-ray free-electron lasers (XFELs) has the potential to provide structural information at atomic resolution for non-crystalline biomolecules. This potential exists because ultra-short intense pulses can produce interpretable diffraction data notwithstanding radiation dam...
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/PMC5619849/ https://www.ncbi.nlm.nih.gov/pubmed/28989713 http://dx.doi.org/10.1107/S2052252517009496 |
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author | Fortmann-Grote, Carsten Buzmakov, Alexey Jurek, Zoltan Loh, Ne-Te Duane Samoylova, Liubov Santra, Robin Schneidmiller, Evgeny A. Tschentscher, Thomas Yakubov, Sergey Yoon, Chun Hong Yurkov, Michael V. Ziaja-Motyka, Beata Mancuso, Adrian P. |
author_facet | Fortmann-Grote, Carsten Buzmakov, Alexey Jurek, Zoltan Loh, Ne-Te Duane Samoylova, Liubov Santra, Robin Schneidmiller, Evgeny A. Tschentscher, Thomas Yakubov, Sergey Yoon, Chun Hong Yurkov, Michael V. Ziaja-Motyka, Beata Mancuso, Adrian P. |
author_sort | Fortmann-Grote, Carsten |
collection | PubMed |
description | Single-particle imaging with X-ray free-electron lasers (XFELs) has the potential to provide structural information at atomic resolution for non-crystalline biomolecules. This potential exists because ultra-short intense pulses can produce interpretable diffraction data notwithstanding radiation damage. This paper explores the impact of pulse duration on the interpretability of diffraction data using comprehensive and realistic simulations of an imaging experiment at the European X-ray Free-Electron Laser. It is found that the optimal pulse duration for molecules with a few thousand atoms at 5 keV lies between 3 and 9 fs. |
format | Online Article Text |
id | pubmed-5619849 |
institution | National Center for Biotechnology Information |
language | English |
publishDate | 2017 |
publisher | International Union of Crystallography |
record_format | MEDLINE/PubMed |
spelling | pubmed-56198492017-10-06 Start-to-end simulation of single-particle imaging using ultra-short pulses at the European X-ray Free-Electron Laser Fortmann-Grote, Carsten Buzmakov, Alexey Jurek, Zoltan Loh, Ne-Te Duane Samoylova, Liubov Santra, Robin Schneidmiller, Evgeny A. Tschentscher, Thomas Yakubov, Sergey Yoon, Chun Hong Yurkov, Michael V. Ziaja-Motyka, Beata Mancuso, Adrian P. IUCrJ Research Letters Single-particle imaging with X-ray free-electron lasers (XFELs) has the potential to provide structural information at atomic resolution for non-crystalline biomolecules. This potential exists because ultra-short intense pulses can produce interpretable diffraction data notwithstanding radiation damage. This paper explores the impact of pulse duration on the interpretability of diffraction data using comprehensive and realistic simulations of an imaging experiment at the European X-ray Free-Electron Laser. It is found that the optimal pulse duration for molecules with a few thousand atoms at 5 keV lies between 3 and 9 fs. International Union of Crystallography 2017-09-01 /pmc/articles/PMC5619849/ /pubmed/28989713 http://dx.doi.org/10.1107/S2052252517009496 Text en © Carsten Fortmann-Grote 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 Letters Fortmann-Grote, Carsten Buzmakov, Alexey Jurek, Zoltan Loh, Ne-Te Duane Samoylova, Liubov Santra, Robin Schneidmiller, Evgeny A. Tschentscher, Thomas Yakubov, Sergey Yoon, Chun Hong Yurkov, Michael V. Ziaja-Motyka, Beata Mancuso, Adrian P. Start-to-end simulation of single-particle imaging using ultra-short pulses at the European X-ray Free-Electron Laser |
title | Start-to-end simulation of single-particle imaging using ultra-short pulses at the European X-ray Free-Electron Laser |
title_full | Start-to-end simulation of single-particle imaging using ultra-short pulses at the European X-ray Free-Electron Laser |
title_fullStr | Start-to-end simulation of single-particle imaging using ultra-short pulses at the European X-ray Free-Electron Laser |
title_full_unstemmed | Start-to-end simulation of single-particle imaging using ultra-short pulses at the European X-ray Free-Electron Laser |
title_short | Start-to-end simulation of single-particle imaging using ultra-short pulses at the European X-ray Free-Electron Laser |
title_sort | start-to-end simulation of single-particle imaging using ultra-short pulses at the european x-ray free-electron laser |
topic | Research Letters |
url | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC5619849/ https://www.ncbi.nlm.nih.gov/pubmed/28989713 http://dx.doi.org/10.1107/S2052252517009496 |
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