7Z5B

Structure of the mouse 8-oxoguanine DNA Glycosylase mOGG1 in complex with ligand TH013546

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	DIAMOND BEAMLINE I03
Synchrotron site	Diamond
Beamline	I03
Temperature [K]	100
Detector technology	PIXEL
Collection date	2021-07-12
Detector	DECTRIS EIGER2 XE 16M
Wavelength(s)	0.976
Spacegroup name	P 21 21 21
Unit cell lengths	80.454, 80.632, 165.925
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	82.960 - 2.600
R-factor	0.26171
Rwork	0.259
R-free	0.30267
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	6g3y
RMSD bond length	0.007
RMSD bond angle	1.007
Data reduction software	DIALS
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	REFMAC (5.8.0135)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	82.960	2.720
High resolution limit [Å]	2.600	2.600
Number of reflections	33992	4084
<I/σ(I)>	9
Completeness [%]	100.0
Redundancy	11.5
CC(1/2)	0.994	0.996

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		294	0.09 M Halogens, 0.1 M Buffer System 1 pH 6.5, 37.5 % v/v MPD_P1K_P3350