4BW4
The first bromodomain of human BRD4 in complex with 3,5 dimethylisoxaxole ligand
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Source details | RIGAKU FR-E+ SUPERBRIGHT |
| Temperature [K] | 100 |
| Collection date | 2013-01-20 |
| Detector | RIGAKU A200 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 43.670, 48.665, 60.880 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 32.520 - 1.670 |
| R-factor | 0.19019 |
| Rwork | 0.189 |
| R-free | 0.21955 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.005 |
| RMSD bond angle | 1.050 |
| Data reduction software | XDS |
| Data scaling software | SCALA |
| Refinement software | REFMAC (5.7.0029) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 60.880 | 1.760 |
| High resolution limit [Å] | 1.670 | 1.670 |
| Rmerge | 0.050 | 0.400 |
| Number of reflections | 15303 | |
| <I/σ(I)> | 19.8 | 3.1 |
| Completeness [%] | 98.8 | 96.7 |
| Redundancy | 4.2 | 3.4 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | 8 | 0.1M TRIS PH8.0, 25% PE6000, 0.2M MGCL2 |
