7ZC7
Structure of the mouse 8-oxoguanine DNA Glycosylase mOGG1 in complex with ligand TH012941
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 | 2021-02-25 |
Detector | DECTRIS EIGER2 XE 16M |
Wavelength(s) | 0.976 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 80.860, 81.739, 168.175 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 84.090 - 2.300 |
R-factor | 0.242 |
Rwork | 0.239 |
R-free | 0.30633 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 6g3y |
RMSD bond length | 0.014 |
RMSD bond angle | 1.604 |
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] | 168.200 | 2.380 |
High resolution limit [Å] | 2.300 | 2.300 |
Number of reflections | 50390 | 4567 |
<I/σ(I)> | 17.3 | |
Completeness [%] | 100.0 | |
Redundancy | 13.2 | |
CC(1/2) | 0.999 | 0.635 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 294 | 0.09M Halogens, 0.1M Buffer System 1 (pH 6.5), 30.0% (v/v) P500MME_P20K (Morpheus screen, Molecular Dimensions) |