5OWW
Crystal structure of human BRD4(1) bromodomain in complex with UT22B
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SLS BEAMLINE X06DA |
| Synchrotron site | SLS |
| Beamline | X06DA |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2016-09-26 |
| Detector | DECTRIS EIGER X 16M |
| Wavelength(s) | 0.999989 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 59.877, 41.924, 109.416 |
| Unit cell angles | 90.00, 92.03, 90.00 |
Refinement procedure
| Resolution | 41.094 - 1.500 |
| R-factor | 0.1842 |
| Rwork | 0.184 |
| R-free | 0.20270 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2oss |
| RMSD bond length | 0.009 |
| RMSD bond angle | 0.897 |
| Data reduction software | XDS |
| Data scaling software | Aimless |
| Phasing software | MOLREP |
| Refinement software | PHENIX ((1.12_2829: ???)) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 41.920 | 1.530 |
| High resolution limit [Å] | 1.500 | 1.500 |
| Rmerge | 0.057 | 0.459 |
| Number of reflections | 85408 | 4173 |
| <I/σ(I)> | 9.8 | |
| Completeness [%] | 97.9 | 98.4 |
| Redundancy | 3.3 | 3.1 |
| CC(1/2) | 0.997 | 0.665 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 277 | 0.1 M HEPES sodium pH 7.5, 10% v/v 2-Propanol, 20% w/v Polyethylene glycol 4,000 |
