Effects of radiation damage and inelastic scattering on single-particle imaging of hydrated proteins with an X-ray Free-Electron Laser

0580116 - ÚFP 2024 RIV US eng J - Journal Article
Juncheng, E. - Stransky, M. - Jurek, Z. - Fortmann-Grote, C. - Juha, Libor - Santra, R. - Ziaja, B. - Mancuso, A.P.
Effects of radiation damage and inelastic scattering on single-particle imaging of hydrated proteins with an X-ray Free-Electron Laser.
Scientific Reports. Roč. 11, č. 1 (2021), č. článku 17976. ISSN 2045-2322. E-ISSN 2045-2322
R&D Projects: GA MŠMT LTT17015
EU Projects: European Commission(XE) 871124 - LASERLAB-EUROPE
Institutional support: RVO:61389021
Keywords : x-ray * radiation damage * hydrated proteins
OECD category: Optics (including laser optics and quantum optics)
Impact factor: 4.997, year: 2021
Method of publishing: Open access
https://www.nature.com/articles/s41598-021-97142-5

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.
Permanent Link: https://hdl.handle.net/11104/0348886