6VIW
BRD4_Bromodomain1 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 | 2013-10-11 |
| Detector | DECTRIS PILATUS 6M |
| Wavelength(s) | 1.000000 |
| Spacegroup name | P 61 2 2 |
| Unit cell lengths | 141.520, 141.520, 134.760 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 122.560 - 2.429 |
| R-factor | 0.2201 |
| Rwork | 0.220 |
| R-free | 0.23190 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 5uvw |
| RMSD bond length | 0.008 |
| RMSD bond angle | 0.960 |
| Data scaling software | XSCALE |
| Refinement software | BUSTER (2.11.7 (29-NOV-2019)) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 122.560 | 2.471 |
| High resolution limit [Å] | 2.429 | 2.429 |
| Rmerge | 0.094 | 1.800 |
| Number of reflections | 30565 | 1490 |
| <I/σ(I)> | 22 | 2.2 |
| Completeness [%] | 99.9 | 99.9 |
| Redundancy | 18.4 | 20.6 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 290 | 2.0 M Na Formate, 0.1M Tris pH 8.5 |
