4BW1
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 |
| Detector technology | CCD |
| Collection date | 2013-01-28 |
| Detector | ADSC QUANTUM 315r |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 43.970, 47.810, 61.910 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 37.840 - 1.400 |
| R-factor | 0.19008 |
| Rwork | 0.189 |
| R-free | 0.20793 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.005 |
| RMSD bond angle | 0.986 |
| Data reduction software | XDS |
| Data scaling software | SCALA |
| Refinement software | REFMAC (5.7.0029) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 37.840 | 1.480 |
| High resolution limit [Å] | 1.400 | 1.400 |
| Rmerge | 0.040 | 0.510 |
| Number of reflections | 26279 | |
| <I/σ(I)> | 19.2 | 2.9 |
| Completeness [%] | 99.8 | 99.4 |
| Redundancy | 5.7 | 4.7 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | 6 | 25% PEG1500, 0.1M SPG BUFFER PH6.0 |
