5E0R
Crystal Structure of the first bromodomain of BRD4 in complex with AYC
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 | 2014-10-16 |
| Detector | DECTRIS PILATUS 6M-F |
| Wavelength(s) | 1.00000 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 36.776, 44.538, 77.964 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 38.982 - 1.352 |
| R-factor | 0.1722 |
| Rwork | 0.171 |
| R-free | 0.19800 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 4pci |
| RMSD bond length | 0.009 |
| RMSD bond angle | 1.315 |
| Data reduction software | XDS (VERSION Jun 17, 2015 BUILT=20150617) |
| Data scaling software | SCALA (3.3.22) |
| Phasing software | PHASER (2.5.7) |
| Refinement software | PHENIX (1.10-2155) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 38.982 | 44.538 | 1.430 |
| High resolution limit [Å] | 1.352 | 4.280 | 1.352 |
| Rmerge | 0.034 | 0.311 | |
| Rmeas | 0.056 | ||
| Rpim | 0.023 | 0.015 | 0.235 |
| Total number of observations | 141751 | 5625 | 6174 |
| Number of reflections | 27342 | ||
| <I/σ(I)> | 15.7 | 34.8 | 2.6 |
| Completeness [%] | 95.3 | 99.3 | 73.1 |
| Redundancy | 5.2 | 5.5 | 2.1 |
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 |
