7ZC7

Structure of the mouse 8-oxoguanine DNA Glycosylase mOGG1 in complex with ligand TH012941

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	2021-02-25
Detector	DECTRIS EIGER2 XE 16M
Wavelength(s)	0.976
Spacegroup name	P 21 21 21
Unit cell lengths	80.860, 81.739, 168.175
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	84.090 - 2.300
R-factor	0.242
Rwork	0.239
R-free	0.30633
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	6g3y
RMSD bond length	0.014
RMSD bond angle	1.604
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]	168.200	2.380
High resolution limit [Å]	2.300	2.300
Number of reflections	50390	4567
<I/σ(I)>	17.3
Completeness [%]	100.0
Redundancy	13.2
CC(1/2)	0.999	0.635

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		294	0.09M Halogens, 0.1M Buffer System 1 (pH 6.5), 30.0% (v/v) P500MME_P20K (Morpheus screen, Molecular Dimensions)