6SWN
N-TERMINAL BROMODOMAIN OF HUMAN BRD4 WITH iBET-BD1 (GSK778)
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 | 2013-09-25 |
| Detector | DECTRIS PILATUS3 6M |
| Wavelength(s) | 1.07253 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 38.280, 42.320, 90.820 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 38.360 - 1.280 |
| Rwork | 0.193 |
| R-free | 0.21220 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.003 |
| RMSD bond angle | 1.138 |
| Data reduction software | XDS |
| Data scaling software | Aimless |
| Refinement software | REFMAC (5.8.0253) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 45.410 | 1.330 |
| High resolution limit [Å] | 1.280 | 1.280 |
| Rmerge | 0.036 | 0.187 |
| Number of reflections | 36156 | 2233 |
| <I/σ(I)> | 17 | |
| Completeness [%] | 93.3 | 60.2 |
| Redundancy | 5.3 | 2.1 |
| CC(1/2) | 0.995 | 0.901 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 7.5 | 298 | 20% PEG3350, 0.2M NaI, 0.1M BTP, 20C |
