Conveners
Damage at New Sources - XFELs and 4th Generation Synchrotrons
- Valérie Panneels (PSI - Paul Scherrer Institut)
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Ivo TEWS (University of Southampton)03/06/2025, 15:45Invited
Radiation damage is a faithful attender to X-ray crystallographic studies of metallo-proteins. Thus, care is taken to limit the effects of radiation damage and avoid consequent misinterpretation of X-ray crystallographic results. In our study, we applied defined doses to selectively probe the redox states involved in metal binding.
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We studied the cyanobacterial iron binding protein FutA, an... -
Gleb BOURENKOV (EMBL Hamburg)03/06/2025, 16:15Invited
solely deciphering structures and refining atomic positions, to the analysis of subtle structural effects. Examples involve unpredicted deviations in molecular geometries; the details of protonation states of functional groups, ligands and solvent molecules; occupancies of mixed states; atomic vibrations and, finally, electron density studies of active sites and ligands. Classical...
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Samuel L. ROSE (ESRF)03/06/2025, 16:45Invited
Radiation damage is major concern in macromolecular crystallography (MX) where ionising X-rays used for structure determination can result in a cascade of damaging processes caused by the absorption of energy (denoted mainly as dose: absorbed energy/mass (J/kg; Gray (G)) and radiolysis of molecules. These can introduce artefacts within the structure (specific damage) and the overall data...
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Robin OWEN (Diamond Light Source)03/06/2025, 17:15Invited
Serial femtosecond crystallography (SFX) exploits extremely brief X-ray free-electron laser pulses to obtain diffraction data before destruction of the crystal. However, during the pulse X-ray-induced site-specific radiation damage can occur, leading to electronic state and/or structural changes. Here, we present a systematic exploration of the effect of single-pulse duration and energy (and...
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