4QB3
Crystal structure of the first bromodomain of human BRD4 in complex with Olinone
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | NSLS BEAMLINE X6A |
| Synchrotron site | NSLS |
| Beamline | X6A |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2010-11-24 |
| Detector | ADSC QUANTUM 270 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 36.943, 44.126, 78.455 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 9.940 - 0.940 |
| R-factor | 0.137 |
| Rwork | 0.136 |
| R-free | 0.15500 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2oss |
| RMSD bond length | 0.028 |
| RMSD bond angle | 2.157 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.5.0102) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 10.000 | 0.960 |
| High resolution limit [Å] | 0.940 | 0.940 |
| Number of reflections | 83274 | |
| Completeness [%] | 99.1 | 99.3 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | 8.5 | 293 | 25% tert-Butanol, 0.1 M Tris pH 8.5, VAPOR DIFFUSION, SITTING DROP, temperature 293K |
