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 |