4IOR
Crystal Structure of the first bromodomain of BRD4 in complex with DMSO
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ELETTRA BEAMLINE 5.2R |
| Synchrotron site | ELETTRA |
| Beamline | 5.2R |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2011-05-23 |
| Detector | DECTRIS PILATUS 2M |
| Wavelength(s) | 1.200 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 37.176, 44.119, 77.965 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 39.000 - 1.400 |
| R-factor | 0.1611 |
| Rwork | 0.160 |
| R-free | 0.19140 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.012 |
| RMSD bond angle | 1.508 |
| Data scaling software | SCALA (3.3.20) |
| Phasing software | PHASER |
| Refinement software | REFMAC |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 44.119 | 38.397 | 1.480 |
| High resolution limit [Å] | 1.400 | 4.430 | 1.400 |
| Rmerge | 0.033 | 0.468 | |
| Total number of observations | 2768 | 8868 | |
| Number of reflections | 25613 | ||
| <I/σ(I)> | 9.5 | 19.4 | 1.2 |
| Completeness [%] | 98.8 | 94.8 | 97.3 |
| Redundancy | 3.1 | 3.2 | 2.4 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION | 7.5 | 277 | 16% PEG 3350, 20% ethylene glycol, pH 7.5, vapor diffusion, temperature 277K |
