9GIH

Structure of the mouse 8-oxoguanine DNA Glycosylase mOGG1 in complex with ligand TH14047

This is a non-PDB format compatible entry.

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	DIAMOND BEAMLINE I03
Synchrotron site	Diamond
Beamline	I03
Temperature [K]	100
Detector technology	PIXEL
Collection date	2024-03-14
Detector	DECTRIS EIGER2 XE 16M
Wavelength(s)	0.976
Spacegroup name	P 21 21 21
Unit cell lengths	79.976, 80.764, 166.815
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	83.407 - 2.271
Rwork	0.208
R-free	0.26660
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.007
RMSD bond angle	1.638
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	REFMAC (5.8.0425)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	83.407	2.310
High resolution limit [Å]	2.270	2.270
Number of reflections	49693	2504
<I/σ(I)>	14.1
Completeness [%]	98.1
Redundancy	13.3
CC(1/2)	0.989	0.759

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		293	0.09M Halogens, 0.1M MOPS/HEPES-Na pH 7.5, 50% v/v EDO_P8K (Morpheus Screen, Molecular Dimensions).