7Z5B
Structure of the mouse 8-oxoguanine DNA Glycosylase mOGG1 in complex with ligand TH013546
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 | 2021-07-12 |
Detector | DECTRIS EIGER2 XE 16M |
Wavelength(s) | 0.976 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 80.454, 80.632, 165.925 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 82.960 - 2.600 |
R-factor | 0.26171 |
Rwork | 0.259 |
R-free | 0.30267 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 6g3y |
RMSD bond length | 0.007 |
RMSD bond angle | 1.007 |
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] | 57.800 | 2.720 |
High resolution limit [Å] | 2.600 | 2.600 |
Number of reflections | 33992 | 4084 |
<I/σ(I)> | 9 | |
Completeness [%] | 100.0 | |
Redundancy | 11.5 | |
CC(1/2) | 0.994 | 0.996 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 294 | 0.09 M Halogens, 0.1 M Buffer System 1 pH 6.5, 37.5 % v/v MPD_P1K_P3350 |