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Center for Free Electron Laser Scienc... 1 Department of Chemistry and Physics L... 1 Department of Physics Universität Ham... 1 European XFEL Holzkoppel 4 22869 Sche... 1 Institute of Nuclear Physics Polish A... 1 Institute of Physics Czech Academy of... 1 Institute of Plasma Physics Czech Aca... 1 Max Planck Institute for Evolutionary... 1 The Hamburg Centre for Ultrafast Imag... 1
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Pracoviště
Center for Free Electron Laser Scienc... 1 Department of Chemistry and Physics L... 1 Department of Physics Universität Ham... 1 European XFEL Holzkoppel 4 22869 Sche... 1 Institute of Nuclear Physics Polish A... 1 Institute of Physics Czech Academy of... 1 Institute of Plasma Physics Czech Aca... 1 Max Planck Institute for Evolutionary... 1 The Hamburg Centre for Ultrafast Imag... 1
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- E, Juncheng
- Stransky, Michal
- Jurek, Zoltan
- Fortmann-Grote, Carsten
- Juha, Libor
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Santra, Robin
Autor Santra, Robin Center for Free-Electron Laser Science CFEL, Deutsches Elektronen-Synchrotron DESY, Notkestr. 85, 22607, Hamburg, Germany The Hamburg Centre for Ultrafast Imaging, Luruper Chaussee 149, 22761, Hamburg, Germany Department of Physics, Universität Hamburg, Notkestr. 9-11, 22607, Hamburg, Germany
- Ziaja, Beata
- Mancuso, Adrian P
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PubMed
34504156
DOI
10.1038/s41598-021-97142-5
Knihovny.cz E-zdroje
We present a computational case study of X-ray single-particle imaging of hydrated proteins on an example of 2-Nitrogenase-Iron protein covered with water layers of various thickness, using a start-to-end simulation platform and experimental parameters of the SPB/SFX instrument at the European X-ray Free-Electron Laser facility. The simulations identify an optimal thickness of the water layer at which the effective resolution for imaging the hydrated sample becomes significantly higher than for the non-hydrated sample. This effect is lost when the water layer becomes too thick. Even though the detailed results presented pertain to the specific sample studied, the trends which we identify should also hold in a general case. We expect these findings will guide future single-particle imaging experiments using hydrated proteins.
- MeSH
- difrakce rentgenového záření přístrojové vybavení metody MeSH
- elektrony MeSH
- fotony MeSH
- lasery * MeSH
- molekulární zobrazování metody MeSH
- oxidoreduktasy chemie účinky záření MeSH
- rentgenové záření škodlivé účinky MeSH
- simulace molekulární dynamiky * MeSH
- voda chemie MeSH
- Publikační typ
- časopisecké články MeSH
- práce podpořená grantem MeSH
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