5NND
Crystal Structure of the first bromodomain of human BRD4 in complex with a diacetylated histone 4 peptide (H3K9ac/K14ac)
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 | 2012-05-03 |
| Detector | DECTRIS PILATUS 6M |
| Wavelength(s) | 0.9686 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 42.630, 50.490, 64.540 |
| Unit cell angles | 90.00, 89.99, 90.00 |
Refinement procedure
| Resolution | 19.820 - 1.820 |
| R-factor | 0.21015 |
| Rwork | 0.206 |
| R-free | 0.28495 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2oss |
| RMSD bond length | 0.026 |
| RMSD bond angle | 2.307 |
| Data reduction software | MOSFLM |
| Data scaling software | SCALA |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.8.0155) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 19.820 | 2.320 |
| High resolution limit [Å] | 1.610 | 2.200 |
| Rmerge | 0.081 | 0.635 |
| Rmeas | 0.041 | |
| Rpim | 0.041 | |
| Number of reflections | 18357 | |
| <I/σ(I)> | 9.9 | 2.2 |
| Completeness [%] | 99.2 | 98.2 |
| Redundancy | 4.9 | 3 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 7.5 | 277 | 0.20M Na(acetate) 0.1M BTProp pH 7.5 20.0% PEG 3350 10.0% EtGly |
