7P6Y
N-TERMINAL BROMODOMAIN OF HUMAN BRD4 WITH compound 5ef
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 | 2017-08-07 |
| Detector | DECTRIS PILATUS 6M |
| Wavelength(s) | 0.97951 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 42.035, 52.166, 59.957 |
| Unit cell angles | 90.00, 90.14, 90.00 |
Refinement procedure
| Resolution | 59.957 - 1.881 |
| Rwork | 0.177 |
| R-free | 0.22200 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | in house model |
| RMSD bond length | 0.005 |
| RMSD bond angle | 1.308 |
| Data reduction software | XDS |
| Data scaling software | Aimless |
| Refinement software | REFMAC (5.8.0267) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 59.960 | 1.920 |
| High resolution limit [Å] | 1.880 | 1.880 |
| Rmerge | 0.043 | 0.478 |
| Number of reflections | 20355 | 1034 |
| <I/σ(I)> | 16.8 | 2.4 |
| Completeness [%] | 96.3 | 96.3 |
| Redundancy | 3.4 | 3.3 |
| CC(1/2) | 0.999 | 0.839 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION | 293 | 0.1 sodium citrate pH 5.6, 10% w/v PEG4K, 10% w/v propan-2-ol |
