9HLF

Structure of the mouse 8-oxoguanine DNA Glycosylase mOGG1 in complex with ligand TH14445

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	2024-09-05
Detector	DECTRIS EIGER X 16M
Wavelength(s)	0.7749
Spacegroup name	P 21 21 21
Unit cell lengths	80.760, 80.850, 170.847
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	42.750 - 2.640
R-factor	0.24832
Rwork	0.246
R-free	0.29361
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.003
RMSD bond angle	1.007
Data reduction software	autoPROC
Data scaling software	Aimless
Phasing software	MOLREP
Refinement software	REFMAC (5.8.0425)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	85.424	2.690
High resolution limit [Å]	2.640	2.640
Number of reflections	33478	1661
<I/σ(I)>	10.7
Completeness [%]	100.0
Redundancy	11.4
CC(1/2)	0.998	0.333

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		293	MORPHEUS screen condition B9 (0.09 M Halogens, 0.1 M Tris/Bicine pH 8.5, 30 % P500MME_P20K)