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

0546207 - FZÚ 2022 RIV GB 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) 654148 - LASERLAB-EUROPE
Institutional support: RVO:68378271
Keywords : X-ray Free-electron laser * radiation damage * inelastic scattering * single-particle imaging of hydrated proteins
OECD category: Optics (including laser optics and quantum optics)
Impact factor: 4.997, year: 2021
Method of publishing: Open access

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 efective resolution for imaging the hydrated sample becomes signifcantly higher than for the non-hydrated sample. This efect is lost when the water layer becomes too thick. Even though the detailed results presented pertain to the specifc sample studied, the trends which we identify should also hold in a general case. We expect these fndings will guide future single-particle imaging experiments using hydrated proteins.
Permanent Link: http://hdl.handle.net/11104/0322754