5H85
Crystal structure of the bromodomain of human CREBBP in complex with UO37D
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SLS BEAMLINE X06DA |
| Synchrotron site | SLS |
| Beamline | X06DA |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2015-04-27 |
| Detector | DECTRIS PILATUS 2M-F |
| Wavelength(s) | 1.00002 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 24.413, 45.314, 104.660 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 41.584 - 1.701 |
| R-factor | 0.163 |
| Rwork | 0.161 |
| R-free | 0.19850 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 4nr5 |
| RMSD bond length | 0.006 |
| RMSD bond angle | 0.832 |
| 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] | 52.330 | 45.314 | 1.790 |
| High resolution limit [Å] | 1.701 | 5.380 | 1.700 |
| Rmerge | 0.034 | 0.400 | |
| Rmeas | 0.077 | ||
| Rpim | 0.022 | 0.010 | 0.128 |
| Total number of observations | 151242 | 5945 | 16287 |
| Number of reflections | 13297 | ||
| <I/σ(I)> | 24.3 | 53.1 | 5.7 |
| Completeness [%] | 98.8 | 99.8 | 93.9 |
| Redundancy | 11.4 | 11.6 | 9.1 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 7.5 | 277 | 0.15M KSCN, 20% PEG 3350, 10% EtGly |
