4BW2
The first bromodomain of human BRD4 in complex with 3,5 dimethylisoxaxole ligand
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Temperature [K] | 100 |
| Collection date | 2013-01-20 |
| Detector | RIGAKU A200 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 43.930, 47.860, 61.980 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 28.690 - 1.920 |
| R-factor | 0.17425 |
| Rwork | 0.172 |
| R-free | 0.22221 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Data reduction software | XDS |
| Data scaling software | SCALA |
| Refinement software | REFMAC (5.7.0029) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 47.870 | 2.030 |
| High resolution limit [Å] | 1.920 | 1.920 |
| Rmerge | 0.060 | 0.370 |
| Number of reflections | 10366 | |
| <I/σ(I)> | 15.4 | 3.5 |
| Completeness [%] | 99.7 | 99.8 |
| Redundancy | 3.5 | 3.5 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | 6 | 0.1M MES PH8.6, 20% PEG6000, 0.2M MGCL2, pH 6.0 |
