5C6L: Crystal Structure of Gadolinium derivative of HEWL solved using intense Free-Electron Laser radiation

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.
PDB ID: 5C6LDownload
MMDB ID: 130770
PDB Deposition Date: 2015/6/23
Updated in MMDB: 2015/12
Experimental Method:
x-ray diffraction
Resolution: 2.1  Å
Source Organism:
Similar Structures:
Biological Unit for 5C6L: monomeric; determined by author and by software (PISA)
Molecular Components in 5C6L
Label Count Molecule
Protein (1 molecule)
Lysozyme C(Gene symbol: LYZ)
Molecule annotation
Chemicals (8 molecules)
* Click molecule labels to explore molecular sequence information.

Citing MMDB