Effects of radiation damage and inelastic scattering on single-particle imaging of hydrated proteins with an X-ray Free-Electron Laser.
Journal
Scientific reports
ISSN: 2045-2322
Titre abrégé: Sci Rep
Pays: England
ID NLM: 101563288
Informations de publication
Date de publication:
09 09 2021
09 09 2021
Historique:
received:
07
05
2021
accepted:
19
08
2021
entrez:
10
9
2021
pubmed:
11
9
2021
medline:
18
11
2021
Statut:
epublish
Résumé
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.
Identifiants
pubmed: 34504156
doi: 10.1038/s41598-021-97142-5
pii: 10.1038/s41598-021-97142-5
pmc: PMC8429720
doi:
Substances chimiques
Water
059QF0KO0R
Oxidoreductases
EC 1.-
nitrogenase reductase
EC 1.18.6.1
Types de publication
Journal Article
Research Support, Non-U.S. Gov't
Langues
eng
Sous-ensembles de citation
IM
Pagination
17976Informations de copyright
© 2021. The Author(s).
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