5DFC
Crystal structure of BRD2(BD2) W370F mutant with ligand I-BET 762 bound
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | DIAMOND BEAMLINE I03 |
| Synchrotron site | Diamond |
| Beamline | I03 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2012-12-18 |
| Detector | DECTRIS PILATUS 6M |
| Wavelength(s) | 0.9763 |
| Spacegroup name | P 2 21 21 |
| Unit cell lengths | 32.029, 52.677, 71.031 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 29.450 - 1.500 |
| R-factor | 0.15739 |
| Rwork | 0.157 |
| R-free | 0.17096 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 5dfb |
| RMSD bond length | 0.011 |
| RMSD bond angle | 1.453 |
| 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] | 29.450 | 1.580 |
| High resolution limit [Å] | 1.500 | 1.500 |
| Rmerge | 0.033 | 0.062 |
| Number of reflections | 19883 | |
| <I/σ(I)> | 39.2 | 20 |
| Completeness [%] | 99.7 | 98.5 |
| Redundancy | 7.3 | 7.5 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 7 | 293.15 | 0.1M Hepes pH 7, 0.2M Imidiazole, 41% PEG 400 |
