6ZED
CRYSTAL STRUCTURE OF THE FIRST BROMODOMAIN OF HUMAN BRD4 IN COMPLEX with compound F1
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 | 2018-03-03 |
| Detector | DECTRIS PILATUS 6M |
| Wavelength(s) | 0.9159 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 37.730, 43.990, 78.060 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 38.352 - 1.080 |
| Rwork | 0.123 |
| R-free | 0.14330 |
| Structure solution method | FOURIER SYNTHESIS |
| Starting model (for MR) | 3mxf |
| RMSD bond length | 0.012 |
| RMSD bond angle | 1.725 |
| Data reduction software | xia2 |
| Data scaling software | Aimless |
| Phasing software | REFMAC |
| Refinement software | REFMAC (5.8.0258) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 38.353 | 1.100 |
| High resolution limit [Å] | 1.080 | 1.080 |
| Number of reflections | 52386 | 2148 |
| <I/σ(I)> | 23.2 | |
| Completeness [%] | 92.9 | |
| Redundancy | 6 | |
| CC(1/2) | 0.999 | 0.981 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 8.5 | 277 | 0.1M bis-tris-propane pH 6.5, 20% PEG3350, 0.2M sodium fluoride, 10% ethylene glycol |
