8CEX
Structure of the mouse 8-oxoguanine DNA Glycosylase mOGG1 in complex with ligand TH11227.
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | DIAMOND BEAMLINE I04 |
| Synchrotron site | Diamond |
| Beamline | I04 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2022-11-25 |
| Detector | DECTRIS EIGER2 X 16M |
| Wavelength(s) | 0.95373 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 81.113, 81.306, 170.254 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 58.866 - 2.300 |
| Rwork | 0.242 |
| R-free | 0.27750 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 6g3y |
| RMSD bond length | 0.008 |
| RMSD bond angle | 1.407 |
| Data reduction software | DIALS |
| Data scaling software | Aimless |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.8.0352) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 58.866 | 2.380 |
| High resolution limit [Å] | 2.300 | 2.300 |
| Rmerge | 0.139 | |
| Rmeas | 0.151 | 2.221 |
| Rpim | 0.057 | |
| Number of reflections | 50891 | 4601 |
| <I/σ(I)> | 9.9 | |
| Completeness [%] | 100.0 | |
| Redundancy | 13 | 13.5 |
| CC(1/2) | 0.998 | 0.543 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 7.5 | 294 | 10% w/v PEG4000, 20% v/v glycerol, 0.03M of each ethylene glycol, 0.1M MOPS/HEPES-Na pH 7.5 |
