7P6W
N-TERMINAL BROMODOMAIN OF HUMAN BRD4 WITH compound 3bg
This is a non-PDB format compatible entry.
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | DIAMOND BEAMLINE I04-1 |
| Synchrotron site | Diamond |
| Beamline | I04-1 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2018-07-09 |
| Detector | DECTRIS PILATUS 6M |
| Wavelength(s) | 0.91587 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 42.351, 52.103, 57.176 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 34.000 - 1.310 |
| Rwork | 0.195 |
| R-free | 0.22050 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | in house model |
| RMSD bond length | 0.004 |
| RMSD bond angle | 1.180 |
| Data reduction software | XDS |
| Data scaling software | Aimless |
| Refinement software | REFMAC (5.8.0267) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 34.020 | 1.340 |
| High resolution limit [Å] | 1.310 | 1.310 |
| Rmerge | 0.035 | 0.996 |
| Number of reflections | 30602 | 2182 |
| <I/σ(I)> | 17.9 | |
| Completeness [%] | 98.6 | 97.2 |
| Redundancy | 6.1 | 5.2 |
| CC(1/2) | 0.989 | 0.650 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION | 293 | 30%w/v PEG 4K, 0.2M Na Acet, 0.1M TRIS pH 8.5 |
