6G0R
Crystal Structure of the first bromodomain of human BRD4 in complex with an acetylated POLR2A peptide (K775ac/K778ac)
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | DIAMOND BEAMLINE I24 |
| Synchrotron site | Diamond |
| Beamline | I24 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2016-05-14 |
| Detector | DECTRIS PILATUS 6M-F |
| Wavelength(s) | 0.9686 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 43.188, 52.480, 58.520 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 39.070 - 1.250 |
| R-factor | 0.1509 |
| Rwork | 0.150 |
| R-free | 0.17490 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | Ensemble of 2OSS 2ouo 2grc 2oo1 3dai 3d7c 3dwy |
| RMSD bond length | 0.015 |
| RMSD bond angle | 1.675 |
| Data reduction software | XDS |
| Data scaling software | SCALA (3.3.22) |
| Phasing software | PHASER (2.5.7) |
| Refinement software | REFMAC |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 58.520 | 58.520 | 1.320 |
| High resolution limit [Å] | 1.250 | 3.950 | 1.250 |
| Rmerge | 0.142 | 0.136 | 0.323 |
| Rmeas | 0.158 | 0.153 | 0.368 |
| Rpim | 0.068 | 0.068 | 0.173 |
| Number of reflections | 37495 | 1330 | 5362 |
| <I/σ(I)> | 7.3 | 3.9 | 2.1 |
| Completeness [%] | 99.9 | 99.8 | 99.5 |
| Redundancy | 5.1 | 4.7 | 4.2 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 7 | 277 | 20.0 % PEG 6K 10.0 % EtGly 0.1 M HEPES pH 7.0 0.1 M MgCl2 |
