9FNU

Structure of the mouse 8-oxoguanine DNA Glycosylase mOGG1 in complex with ligand TH13579

This is a non-PDB format compatible entry.

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	MAX IV BEAMLINE BioMAX
Synchrotron site	MAX IV
Beamline	BioMAX
Temperature [K]	100
Detector technology	PIXEL
Collection date	2021-06-10
Detector	DECTRIS EIGER X 16M
Wavelength(s)	0.9762
Spacegroup name	P 21 21 21
Unit cell lengths	80.890, 81.114, 170.104
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	73.158 - 2.000
Rwork	0.217
R-free	0.25640
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.007
RMSD bond angle	1.402
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	MOLREP
Refinement software	REFMAC (5.8.0411)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	73.200	2.040
High resolution limit [Å]	2.000	2.000
Number of reflections	76437	4487
<I/σ(I)>	13.7
Completeness [%]	100.0
Redundancy	13.4
CC(1/2)	0.997	0.727

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		294	0.12 M Ethylene Glycols, 0.1 M sodium HEPES/MOPS pH 7.5, 50 % GOL_P4K