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

Kód výsledku v IS VaVaI

<a href="https://www.isvavai.cz/riv?ss=detail&h=RIV%2F68378271%3A_____%2F21%3A00546207" target="_blank" >RIV/68378271:_____/21:00546207 - isvavai.cz</a>

Nalezeny alternativní kódy

RIV/61389021:_____/21:00580116

Výsledek na webu

<a href="http://hdl.handle.net/11104/0322754" target="_blank" >http://hdl.handle.net/11104/0322754</a>

DOI - Digital Object Identifier

<a href="http://dx.doi.org/10.1038/s41598-021-97142-5" target="_blank" >10.1038/s41598-021-97142-5</a>

Jazyk výsledku

angličtina

Název v původním jazyce

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

Popis výsledku v původním jazyce

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.

Název v anglickém jazyce

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

Popis výsledku anglicky

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.

Druh

J_imp - Článek v periodiku v databázi Web of Science

CEP obor

—

OECD FORD obor

10306 - Optics (including laser optics and quantum optics)

Projekt

<a href="/cs/project/LTT17015" target="_blank" >LTT17015: Výzkum v rámci Mezinárodního centra hustého magnetizovaného plazmatu</a><br>

Návaznosti

P - Projekt vyzkumu a vyvoje financovany z verejnych zdroju (s odkazem do CEP)

Rok uplatnění

2021

Kód důvěrnosti údajů

S - Úplné a pravdivé údaje o projektu nepodléhají ochraně podle zvláštních právních předpisů

Název periodika

Scientific Reports

ISSN

2045-2322

e-ISSN

2045-2322

Svazek periodika

11

Číslo periodika v rámci svazku

1

Stát vydavatele periodika

GB - Spojené království Velké Británie a Severního Irska

Počet stran výsledku

11

Strana od-do

17976

Kód UT WoS článku

000695272000099

EID výsledku v databázi Scopus

2-s2.0-85114771514