5IGK
Crystal structure of the first bromodomain of human BRD4 in complex with bromosporine (BSP)
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Source details | RIGAKU FR-E SUPERBRIGHT |
| Temperature [K] | 100 |
| Detector technology | IMAGE PLATE |
| Collection date | 2012-11-01 |
| Detector | RIGAKU |
| Wavelength(s) | 1.52 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 39.465, 43.848, 78.016 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 19.500 - 1.700 |
| R-factor | 0.15793 |
| Rwork | 0.156 |
| R-free | 0.19981 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2oss 2ouo 2grc 2oo1 3dai 3d7c |
| RMSD bond length | 0.014 |
| RMSD bond angle | 1.637 |
| Data reduction software | XDS |
| Data scaling software | SCALA |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.7.0029) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 19.500 | 1.790 |
| High resolution limit [Å] | 1.700 | 1.700 |
| Rmerge | 0.043 | 0.244 |
| Number of reflections | 15007 | |
| <I/σ(I)> | 21.1 | 5.9 |
| Completeness [%] | 97.1 | 94.9 |
| Redundancy | 4.7 | 4.6 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 7.5 | 277 | 0.2 M Na/K(tart), 0.1 M BTProp pH 8.5, 20% PEG3350, 10% EtGly |
