7Z3Y

Structure of the mouse 8-oxoguanine DNA Glycosylase mOGG1 in complex with ligand TH013545

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	80.995, 81.831, 168.952
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	57.632 - 2.350
Rwork	0.260
R-free	0.31000
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	6g3y
RMSD bond length	0.002
RMSD bond angle	1.165
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]	73.000	2.430
High resolution limit [Å]	2.350	2.350
Number of reflections	47609	4580
<I/σ(I)>	12.8
Completeness [%]	100.0
Redundancy	13.3
CC(1/2)	0.999	0.562

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		294	0.12M Alcohols, 0.1M Buffer System 2 pH 7.5, 30.0% v/v EDO_P8K