8XWU

Crystal structure of human 8-oxoguanine glycosylase K249H mutant bound to the reaction intermediate derived from the crystal soaked into the solution at pH 4.0 under 277 K for 24 hourss

This is a non-PDB format compatible entry.

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	PHOTON FACTORY BEAMLINE BL-1A
Synchrotron site	Photon Factory
Beamline	BL-1A
Temperature [K]	100
Detector technology	PIXEL
Collection date	2022-07-01
Detector	DECTRIS EIGER X 16M
Wavelength(s)	1.04
Spacegroup name	P 21 21 21
Unit cell lengths	61.873, 69.404, 88.670
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	46.180 - 1.680
R-factor	0.1711
Rwork	0.169
R-free	0.21350
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.015
RMSD bond angle	1.656
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	MOLREP
Refinement software	PHENIX (1.20.1_4487)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	46.180	1.710
High resolution limit [Å]	1.680	1.680
Number of reflections	44239	2215
<I/σ(I)>	8.3
Completeness [%]	99.9
Redundancy	6.6
CC(1/2)	0.997	0.514

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION		277	sodium cacodylate, PEG 4000, MgCl2