7Z5R
Structure of the mouse 8-oxoguanine DNA Glycosylase mOGG1 in complex with ligand TH012035
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | PETRA III, EMBL c/o DESY BEAMLINE P13 (MX1) |
Synchrotron site | PETRA III, EMBL c/o DESY |
Beamline | P13 (MX1) |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2020-11-21 |
Detector | DECTRIS EIGER X 16M |
Wavelength(s) | 0.97 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 81.459, 81.533, 170.145 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 85.070 - 2.500 |
R-factor | 0.23946 |
Rwork | 0.237 |
R-free | 0.29377 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 6g3y |
RMSD bond length | 0.009 |
RMSD bond angle | 1.242 |
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] | 170.200 | 2.600 |
High resolution limit [Å] | 2.500 | 2.500 |
Number of reflections | 40059 | 4457 |
<I/σ(I)> | 8.8 | |
Completeness [%] | 100.0 | |
Redundancy | 12.6 | |
CC(1/2) | 0.997 | 0.586 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 294 | 0.12 M Alcohols, 0.1M Buffer System 1 pH 6.5, 30.0 % v/v GOL_P4K |