Towards phasing using high X-ray intensity
2015 (English)In: IUCrJ, ISSN 0972-6918, E-ISSN 2052-2525, Vol. 2, 627-634 p.Article in journal (Refereed) Published
X-ray free-electron lasers (XFELs) show great promise for macromolecular structure determination from sub-micrometre-sized crystals, using the emerging method of serial femtosecond crystallography. The extreme brightness of the XFEL radiation can multiply ionize most, if not all, atoms in a protein, causing their scattering factors to change during the pulse, with a preferential ‘bleaching’ of heavy atoms. This paper investigates the effects of electronic damage on experimental data collected from a Gd derivative of lysozyme microcrystals at different X-ray intensities, and the degree of ionization of Gd atoms is quantified from phased difference Fourier maps. A pattern sorting scheme is proposed to maximize the ionization contrast and the way in which the local electronic damage can be used for a new experimental phasing method is discussed.
Place, publisher, year, edition, pages
2015. Vol. 2, 627-634 p.
serial femtosecond crystallography, high-intensity phasing, radiation damage, electronic damage, X-ray free-electron lasers, high XFEL doses
IdentifiersURN: urn:nbn:se:uu:diva-267776DOI: 10.1107/S2052252515014049ISI: 000364415900007OAI: oai:DiVA.org:uu-267776DiVA: diva2:874255
FunderSwedish Research CouncilSwedish Research Council FormasSwedish National Infrastructure for Computing (SNIC), S00111-71Swedish National Infrastructure for Computing (SNIC), p2012227