7Z5R

Structure of the mouse 8-oxoguanine DNA Glycosylase mOGG1 in complex with ligand TH012035

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	PETRA III, EMBL c/o DESY BEAMLINE P13 (MX1)
Synchrotron site	PETRA III, EMBL c/o DESY
Beamline	P13 (MX1)
Temperature [K]	100
Detector technology	PIXEL
Collection date	2020-11-21
Detector	DECTRIS EIGER X 16M
Wavelength(s)	0.97
Spacegroup name	P 21 21 21
Unit cell lengths	81.459, 81.533, 170.145
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	85.070 - 2.500
R-factor	0.23946
Rwork	0.237
R-free	0.29377
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	6g3y
RMSD bond length	0.009
RMSD bond angle	1.242
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]	170.200	2.600
High resolution limit [Å]	2.500	2.500
Number of reflections	40059	4457
<I/σ(I)>	8.8
Completeness [%]	100.0
Redundancy	12.6
CC(1/2)	0.997	0.586

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		294	0.12 M Alcohols, 0.1M Buffer System 1 pH 6.5, 30.0 % v/v GOL_P4K