6TPX
N-TERMINAL BROMODOMAIN OF HUMAN BRD4 WITH 1-((1-acetylpiperidin-4-yl)methyl)-2-(4-hydroxy-3,5-dimethylphenyl)-N-methyl-1H-benzo[d]imidazole-5-carboxamide
This is a non-PDB format compatible entry.
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 | 2011-09-08 |
| Detector | DECTRIS PILATUS3 S 6M |
| Wavelength(s) | 0.976 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 40.868, 48.684, 57.629 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 37.218 - 1.480 |
| Rwork | 0.155 |
| R-free | 0.18140 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | non published structure |
| RMSD bond length | 0.004 |
| RMSD bond angle | 1.222 |
| Data reduction software | XDS |
| Refinement software | REFMAC (5.8.0257) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 57.630 | 1.530 |
| High resolution limit [Å] | 1.480 | 1.480 |
| Rmerge | 0.025 | 0.128 |
| Number of reflections | 19018 | 1344 |
| <I/σ(I)> | 28 | 7.2 |
| Completeness [%] | 95.6 | |
| Redundancy | 5.7 | 3.5 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION | 293 | 20% PEG6000, 0.2M NH4Cl, 0.1M tris pH8 |
