4BW3
The first bromodomain of human BRD4 in complex with 3,5 dimethylisoxaxole ligand
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ESRF BEAMLINE ID29 |
| Synchrotron site | ESRF |
| Beamline | ID29 |
| Temperature [K] | 100 |
| Collection date | 2013-01-28 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 43.570, 48.850, 61.020 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 38.140 - 1.500 |
| R-factor | 0.2046 |
| Rwork | 0.203 |
| R-free | 0.23067 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.005 |
| RMSD bond angle | 1.043 |
| Data reduction software | XDS |
| Data scaling software | SCALA |
| Refinement software | REFMAC (5.7.0029) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 38.140 | 1.580 |
| High resolution limit [Å] | 1.500 | 1.500 |
| Rmerge | 0.060 | 0.600 |
| Number of reflections | 21405 | |
| <I/σ(I)> | 15.5 | 3.1 |
| Completeness [%] | 15.5 | 99.7 |
| Redundancy | 6.4 | 6.5 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | 8.5 | 20% PEG3350, 0.2M NANO3, 0.1M BIS-TRIS-PROPANE PH8.5 |
