6VIX
BRD4_Bromodomain2 complex with pyrrolopyridone compound 18
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 17-ID |
| Synchrotron site | APS |
| Beamline | 17-ID |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2013-10-17 |
| Detector | DECTRIS PILATUS 6M |
| Wavelength(s) | 1.0 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 162.420, 40.710, 86.300 |
| Unit cell angles | 90.00, 106.05, 90.00 |
Refinement procedure
| Resolution | 82.940 - 2.116 |
| R-factor | 0.1972 |
| Rwork | 0.196 |
| R-free | 0.23010 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 5uvs |
| RMSD bond length | 0.008 |
| RMSD bond angle | 0.930 |
| Data scaling software | XSCALE |
| Refinement software | BUSTER (2.11.7 (29-NOV-2019)) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 82.940 | 2.153 |
| High resolution limit [Å] | 2.116 | 2.116 |
| Rmerge | 0.075 | 0.580 |
| Number of reflections | 30976 | 1438 |
| <I/σ(I)> | 10.7 | |
| Completeness [%] | 98.4 | |
| Redundancy | 3.2 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 290 | 25% PEG 3350, 0.2M AmSO4, 0.1M Na Cacodylate, pH 5.5 |
