4UYE
BROMODOMAIN OF HUMAN BRPF1 WITH N-1,3-dimethyl-2-oxo-6-(piperidin-1- yl)-2,3-dihydro-1H-1,3-benzodiazol-5-yl-2-methoxybenzamide
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 | 2014-05-19 |
| Detector | DECTRIS PILATUS 6M |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 89.060, 68.120, 58.750 |
| Unit cell angles | 90.00, 126.10, 90.00 |
Refinement procedure
| Resolution | 49.470 - 1.650 |
| R-factor | 0.17693 |
| Rwork | 0.176 |
| R-free | 0.20113 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.008 |
| RMSD bond angle | 1.183 |
| Data reduction software | XDS |
| Data scaling software | SCALA |
| Refinement software | REFMAC (5.6.0117) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 49.470 | 1.740 |
| High resolution limit [Å] | 1.650 | 1.650 |
| Rmerge | 0.060 | 0.350 |
| Number of reflections | 32628 | |
| <I/σ(I)> | 10.4 | 3 |
| Completeness [%] | 75.7 | 94.6 |
| Redundancy | 3.3 | 3.2 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | 6.5 | 0.1 M MES/IMIDAZOLE PH 6.5, 10% MORPHEUS DIVALENTS MPD_P1K_P3350 |
