8XXG

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 2.5 hours

This is a non-PDB format compatible entry.

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	NSLS BEAMLINE X6A
Synchrotron site	NSLS
Beamline	X6A
Temperature [K]	100
Detector technology	PIXEL
Collection date	2022-09-16
Detector	DECTRIS PILATUS 2M-F
Wavelength(s)	1.0
Spacegroup name	P 21 21 21
Unit cell lengths	62.028, 69.424, 88.524
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	46.260 - 1.820
R-factor	0.1564
Rwork	0.154
R-free	0.19390
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.007
RMSD bond angle	1.050
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]	46.260	1.860
High resolution limit [Å]	1.820	1.820
Number of reflections	34366	2018
<I/σ(I)>	33.2
Completeness [%]	98.4
Redundancy	13.5
CC(1/2)	0.999	0.992

Crystallization Conditions

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