| Title: |
Computational study of diffraction image formation from XFEL irradiated single ribosome molecule |
| Authors: |
Stransky, Michal; E, Juncheng; Jurek, Zoltan; Santra, Robin; Bean, Richard; Ziaja, Beata; Mancuso, Adrian |
| Source: |
Scientific reports 14(1), 10617 (2024). doi:10.1038/s41598-024-61314-w |
| Publisher Information: |
Macmillan Publishers Limited, part of Springer Nature |
| Publication Year: |
2024 |
| Collection: |
DESY Publication Database (PUBDB) |
| Subject Terms: |
info:eu-repo/classification/ddc/600 |
| Subject Geographic: |
DE |
| Description: |
Single particle imaging at atomic resolution is perhaps one of the most desired goals for ultrafast X-ray science with X-rayFree-Electron Lasers. Such a capability would create great opportunity within the biological sciences, as high-resolutionstructural information of biosamples that may not crystallize is essential for many research areas therein. In this paper, we reporton a comprehensive computational study of diffraction image formation during single particle imaging of a macromolecule,containing over one hundred thousand non-hydrogen atoms. For this study, we use a dedicated simulation framework, SIMEX,available at the European XFEL facility. Our results demonstrate the full feasibility of computational single-particle imagingstudies for biological samples of realistic size. This finding is important as it shows that the SIMEX platform can be usedfor simulations to inform relevant single-particle-imaging experiments and help to establish optimal parameters for theseexperiments. This will enable more focused and more efficient single-particle-imaging experiments at XFEL facilities, makingthe best use of the resource-intensive XFEL operation. |
| Document Type: |
article in journal/newspaper |
| Language: |
English |
| ISSN: |
2045-2322 |
| Relation: |
info:eu-repo/semantics/altIdentifier/wos/WOS:001216325300001; info:eu-repo/semantics/altIdentifier/pmid/pmid:38720133; info:eu-repo/semantics/altIdentifier/issn/2045-2322 |
| Availability: |
https://bib-pubdb1.desy.de/record/606808; https://bib-pubdb1.desy.de/search?p=id:%22PUBDB-2024-01638%22 |
| Rights: |
info:eu-repo/semantics/openAccess |
| Accession Number: |
edsbas.C20256B4 |
| Database: |
BASE |