7QEL

Structure of the mouse 8-oxoguanine DNA Glycosylase mOGG1 in complex with ligand TH011247

This is a non-PDB format compatible entry.

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	2021-07-06
Detector	DECTRIS PILATUS3 6M
Wavelength(s)	0.9688
Spacegroup name	P 21 21 21
Unit cell lengths	81.350, 81.397, 168.405
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	40.732 - 2.500
Rwork	0.252
R-free	0.29460
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	6g40
RMSD bond length	0.002
RMSD bond angle	1.181
Data reduction software	DIALS
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	REFMAC (5.8.0267)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	40.732	2.600
High resolution limit [Å]	2.500	2.500
Number of reflections	39517	4392
<I/σ(I)>	10.5	2
Completeness [%]	100.0
Redundancy	11.3
CC(1/2)	0.996	0.637

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 GOL_P4K (Morpheus Screen, Molecular Dimensions)