Towards RIP using free-electron laser SFX data.
Here, it is shown that simulated native serial femtosecond crystallography (SFX) cathepsin B data can be phased by rapid ionization of sulfur atoms. Utilizing standard software adopted for radiation-damage-induced phasing (RIP), the effects on both substructure determination and phasing of the number of collected patterns and fluences are explored for experimental conditions already available at current free-electron laser facilities.
Center for Free-Electron Laser Science, DESY, Notkestrasse 85, 22607 Hamburg, Germany.
Lorenzo
L
Galli
Center for Free-Electron Laser Science, DESY, Notkestrasse 85, 22607 Hamburg, Germany.
Sang Kil
SK
Son
Center for Free-Electron Laser Science, DESY, Notkestrasse 85, 22607 Hamburg, Germany.
Thomas A
TA
White
Center for Free-Electron Laser Science, DESY, Notkestrasse 85, 22607 Hamburg, Germany.
Robin
R
Santra
Center for Free-Electron Laser Science, DESY, Notkestrasse 85, 22607 Hamburg, Germany.
Henry N
HN
Chapman
EMBL, Grenoble Outstation, Rue Jules Horowitz 6, 38042 Grenoble, France.
Max H
MH
Nanao
D002401:Cathepsin B / Q000528:radiation effects; D002403:Cathepsins / Q000737:chemistry; D018360:Crystallography, X-Ray / Q000379:methods*; D000068598:Data Accuracy; D004583:Electrons; D006801:Humans; D007834:Lasers; D008958:Models, Molecular; D008962:Models, Theoretical; D011487:Protein Conformation / Q000528:radiation effects*; D011832:Radiation Injuries; D012542:Scattering, Radiation; D012680:Sensitivity and Specificity
D002403:Cathepsins; D002401:Cathepsin B
SFX; X-ray FEL; phasing; radiation damage