5HCL
Crystal Structure of the first bromodomain of BRD4 in complex with DMA
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SLS BEAMLINE X06SA |
| Synchrotron site | SLS |
| Beamline | X06SA |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2015-10-16 |
| Detector | DECTRIS EIGER X 16M |
| Wavelength(s) | 1.000043 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 37.615, 43.830, 78.459 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 39.229 - 1.500 |
| R-factor | 0.1466 |
| Rwork | 0.145 |
| R-free | 0.17540 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 4pci |
| RMSD bond length | 0.006 |
| RMSD bond angle | 0.819 |
| Data reduction software | XDS |
| Data scaling software | SCALA (3.3.22) |
| Phasing software | PHASER (2.5.7) |
| Refinement software | PHENIX |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 39.229 | 39.229 | 1.580 |
| High resolution limit [Å] | 1.500 | 4.740 | 1.500 |
| Rmerge | 0.028 | 0.045 | |
| Rmeas | 0.034 | ||
| Rpim | 0.013 | 0.012 | 0.020 |
| Total number of observations | 137442 | 4448 | 18719 |
| Number of reflections | 21250 | ||
| <I/σ(I)> | 42.5 | 53.8 | 28.2 |
| Completeness [%] | 99.2 | 98.2 | 98.1 |
| Redundancy | 6.5 | 5.9 | 6.2 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 7.5 | 277 | 0.20M Sodium Nitrate, 20% PEG 3350, 10% ethylene glycol |
