5NNG
Crystal Structure of the first bromodomain of human BRD4 in complex with an acetylated SRPK1 peptide (K585ac)
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | DIAMOND BEAMLINE I02 |
| Synchrotron site | Diamond |
| Beamline | I02 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2016-04-16 |
| Detector | DECTRIS PILATUS 6M-F |
| Wavelength(s) | 0.97949 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 37.051, 44.141, 81.746 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 40.870 - 1.200 |
| R-factor | 0.12872 |
| Rwork | 0.127 |
| R-free | 0.15773 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2oss |
| RMSD bond length | 0.014 |
| RMSD bond angle | 1.597 |
| Data reduction software | XDS |
| Data scaling software | SCALA |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.8.0158) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 40.870 | 1.260 |
| High resolution limit [Å] | 1.200 | 1.200 |
| Rmerge | 0.051 | 0.518 |
| Rmeas | 0.022 | 0.221 |
| Rpim | 0.022 | 0.221 |
| Number of reflections | 42718 | 38775 |
| <I/σ(I)> | 18.2 | 4.3 |
| Completeness [%] | 99.0 | 100 |
| Redundancy | 6.3 | 6.3 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 7 | 277 | 30% PEG1000 0.1M PCB pH 7.0 |
