7QEL
Structure of the mouse 8-oxoguanine DNA Glycosylase mOGG1 in complex with ligand TH011247
This is a non-PDB format compatible entry.
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | DIAMOND BEAMLINE I24 |
Synchrotron site | Diamond |
Beamline | I24 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2021-07-06 |
Detector | DECTRIS PILATUS3 6M |
Wavelength(s) | 0.9688 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 81.350, 81.397, 168.405 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 40.732 - 2.500 |
Rwork | 0.252 |
R-free | 0.29460 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 6g40 |
RMSD bond length | 0.002 |
RMSD bond angle | 1.181 |
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] | 40.732 | 2.600 |
High resolution limit [Å] | 2.500 | 2.500 |
Number of reflections | 39517 | 4392 |
<I/σ(I)> | 10.5 | 2 |
Completeness [%] | 100.0 | |
Redundancy | 11.3 | |
CC(1/2) | 0.996 | 0.637 |
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 GOL_P4K (Morpheus Screen, Molecular Dimensions) |