5C6I

Crystal Structure of Gadolinium derivative of HEWL solved using Free-Electron Laser radiation

Summary for 5C6I

• Entry DOI: 10.2210/pdb5c6i/pdb
• Descriptor: Lysozyme C, 10-((2R)-2-HYDROXYPROPYL)-1,4,7,10-TETRAAZACYCLODODECANE 1,4,7-TRIACETIC ACID, CHLORIDE ION, ... (5 entities in total)
• Functional Keywords: lysozyme, xfel, gadoteridol, hydrolase
• Biological source: Gallus gallus (Chicken)
• Total number of polymer chains: 1
• Total formula weight: 15596.39

Authors

Galli, L.,Barends, T.R.M.,Son, S.-K.,White, T.A.,Barty, A.,Botha, S.,Boutet, S.,Caleman, C.,Doak, R.B.,Nanao, M.H.,Nass, K.,Shoeman, R.L.,Timneanu, N.,Santra, R.,Schlichting, I.,Chapman, H.N. (deposition date: 2015-06-23, release date: 2015-07-08, Last modification date: 2024-01-10)

Primary citation

Galli, L.,Son, S.K.,Barends, T.R.,White, T.A.,Barty, A.,Botha, S.,Boutet, S.,Caleman, C.,Doak, R.B.,Nanao, M.H.,Nass, K.,Shoeman, R.L.,Timneanu, N.,Santra, R.,Schlichting, I.,Chapman, H.N.
Towards phasing using high X-ray intensity.
Iucrj, 2:627-634, 2015

PubMed Abstract: 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.

PubMed: 26594370
DOI: 10.1107/S2052252515014049

Experimental method

X-RAY DIFFRACTION (1.9 Å)