3U5K
Crystal Structure of the first bromodomain of human BRD4 in complex with Midazolam
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 | 2010-09-25 |
| Detector | RIGAKU RAXIS IV |
| Wavelength(s) | 1.52 |
| Spacegroup name | P 31 |
| Unit cell lengths | 89.550, 89.550, 64.411 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 26.680 - 1.800 |
| R-factor | 0.2116 |
| Rwork | 0.210 |
| R-free | 0.25990 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2oss |
| RMSD bond length | 0.016 |
| RMSD bond angle | 1.640 |
| Data reduction software | MOSFLM |
| Data scaling software | SCALA (3.3.16) |
| Phasing software | PHASER (2.1.4) |
| Refinement software | REFMAC |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 26.680 | 26.145 | 1.900 |
| High resolution limit [Å] | 1.800 | 5.690 | 1.800 |
| Rmerge | 0.102 | 0.071 | 0.522 |
| Total number of observations | 8414 | 21952 | |
| Number of reflections | 51230 | ||
| <I/σ(I)> | 7.8 | 7.8 | 1.5 |
| Completeness [%] | 95.7 | 98.7 | 83.9 |
| Redundancy | 4.1 | 5 | 3.4 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 5.5 | 277 | 0.1M MES pH 5.5, 0.1M MgCl, 15% PEG 6000, 10% EtGly, VAPOR DIFFUSION, SITTING DROP, temperature 277K |
