8CEY

Structure of the mouse 8-oxoguanine DNA Glycosylase mOGG1 in complex with ligand TH11233

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	DIAMOND BEAMLINE I04
Synchrotron site	Diamond
Beamline	I04
Temperature [K]	100
Detector technology	PIXEL
Collection date	2022-11-25
Detector	DECTRIS EIGER2 XE 16M
Wavelength(s)	0.95373
Spacegroup name	P 21 21 21
Unit cell lengths	81.632, 81.763, 170.486
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	59.077 - 1.950
Rwork	0.244
R-free	0.28250
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	6g3y
RMSD bond length	0.007
RMSD bond angle	1.348
Data reduction software	DIALS
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	REFMAC (5.8.0352)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	59.077	1.990
High resolution limit [Å]	1.950	1.950
Rmerge	0.102
Rmeas	0.110
Rpim	0.041
Number of reflections	83828	4543
<I/σ(I)>	14.1
Completeness [%]	99.9
Redundancy	13.7	14
CC(1/2)	0.999	0.372

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	6.5	294	10% w/v PEG4000, 20% v/v glycerol, 0.03M of each halide, 0.1M MES/imidazole pH 6.5. Morpheus screen, Molecular dimensions.