6RLW
Structure of the human 8-oxoguanine DNA Glycosylase hOGG1 in complex with inhibitor TH5487
This is a non-PDB format compatible entry.
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 | 2019-02-11 |
| Detector | DECTRIS EIGER X 16M |
| Wavelength(s) | 0.9795 |
| Spacegroup name | P 41 21 2 |
| Unit cell lengths | 86.367, 86.367, 432.400 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 84.837 - 2.000 |
| Rwork | 0.223 |
| R-free | 0.27410 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1ebm |
| RMSD bond length | 0.005 |
| RMSD bond angle | 1.293 |
| Data reduction software | DIALS |
| Data scaling software | Aimless |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.8.0258) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 86.400 | 2.030 |
| High resolution limit [Å] | 2.000 | 2.000 |
| Rmerge | 0.096 | 1.220 |
| Rmeas | 0.100 | 1.280 |
| Rpim | 0.029 | 0.390 |
| Number of reflections | 112319 | 5469 |
| <I/σ(I)> | 16.5 | 2.7 |
| Completeness [%] | 100.0 | 99.9 |
| Redundancy | 21.8 | 20.6 |
| CC(1/2) | 1.000 | 0.846 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 7.5 | 294 | 0.12 M Alcohols, 0.1 M Buffer System 2 pH 7.5, 48 % v/v Precipitant Mix from 4 Morpheus screen (Molecular Dimensions) |
