4UIX
N-TERMINAL BROMODOMAIN OF HUMAN BRD4 WITH 7-(3,4-dimethoxyphenyl)-N-(1,1-dioxo-1-thian-4-yl)-5-methyl-4-oxo-4H,5H-thieno-3,2-c-pyridine-2- carboxamide
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ESRF BEAMLINE ID29 |
| Synchrotron site | ESRF |
| Beamline | ID29 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2013-01-28 |
| Detector | DECTRIS PILATUS 6M |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 63.640, 44.670, 77.550 |
| Unit cell angles | 90.00, 90.09, 90.00 |
Refinement procedure
| Resolution | 49.230 - 1.580 |
| R-factor | 0.2019 |
| Rwork | 0.200 |
| R-free | 0.23788 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.007 |
| RMSD bond angle | 1.127 |
| Data reduction software | XDS |
| Data scaling software | SCALA |
| Refinement software | REFMAC (5.6.0117) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 49.230 | 1.640 |
| High resolution limit [Å] | 1.580 | 1.580 |
| Rmerge | 0.110 | 0.390 |
| Number of reflections | 58489 | |
| <I/σ(I)> | 6.4 | 2.5 |
| Completeness [%] | 97.7 | 97.1 |
| Redundancy | 3.3 | 3.3 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | 293 | 0.2M CACL2, 0.1M HEPES, PEG 6K 20C |
