6ZEL
CRYSTAL STRUCTURE OF THE FIRST BROMODOMAIN OF HUMAN BRD4 IN COMPLEX with compound F5
This is a non-PDB format compatible entry.
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | DIAMOND BEAMLINE I03 |
| Synchrotron site | Diamond |
| Beamline | I03 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2018-05-04 |
| Detector | DECTRIS PILATUS3 S 6M |
| Wavelength(s) | 0.9763 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 37.235, 44.141, 78.441 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 39.221 - 1.120 |
| Rwork | 0.125 |
| R-free | 0.14660 |
| Structure solution method | FOURIER SYNTHESIS |
| Starting model (for MR) | 3mxf |
| RMSD bond length | 0.010 |
| RMSD bond angle | 1.726 |
| Data reduction software | XDS |
| Data scaling software | Aimless |
| Phasing software | REFMAC |
| Refinement software | REFMAC (5.8.0258) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 39.221 | 1.140 |
| High resolution limit [Å] | 1.120 | 1.120 |
| Number of reflections | 48062 | 1773 |
| <I/σ(I)> | 25.6 | |
| Completeness [%] | 95.4 | |
| Redundancy | 7 | |
| CC(1/2) | 0.998 | 0.994 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 6.5 | 277 | 0.1M bis-tris-propane pH 7.9, 20% PEG3350, 0.2M sodium fluoride, 10% ethylene glycol |
