6G3Y

Structure of the mouse 8-oxoguanine DNA Glycosylase mOGG1 in complex with ligand TH5675

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	DIAMOND BEAMLINE I24
Synchrotron site	Diamond
Beamline	I24
Temperature [K]	100
Detector technology	PIXEL
Collection date	2018-02-07
Detector	DECTRIS PILATUS3 6M
Wavelength(s)	0.9686
Spacegroup name	P 21 21 21
Unit cell lengths	80.817, 81.357, 169.157
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	84.580 - 2.510
R-factor	0.23635
Rwork	0.234
R-free	0.28215
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1ebm
RMSD bond length	0.007
RMSD bond angle	1.158
Data reduction software	DIALS
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	REFMAC (5.8.0189)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	84.580	2.560
High resolution limit [Å]	2.510	2.510
Rmerge	0.116	0.852
Rmeas	0.126	0.918
Rpim	0.047	0.338
Number of reflections	38585	1719
<I/σ(I)>	9.3	1.8
Completeness [%]	99.6	89.6
Redundancy	7	7.1
CC(1/2)	0.976	0.137

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7.5	294	0.09 M Halogens, 0.1 M Buffer System 2 pH 7.5, 50 % v/v Precipitant Mix 3 (Morpheus screen, Molecular Dimensions)