5OWK
Crystal structure of CREBBP bromodomain complexed with DSPB2A002
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 | 2016-09-26 |
Detector | DECTRIS EIGER X 16M |
Wavelength(s) | 0.999989 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 44.337, 45.073, 61.146 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 36.281 - 1.250 |
R-factor | 0.1629 |
Rwork | 0.162 |
R-free | 0.17610 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 3dwy |
RMSD bond length | 0.005 |
RMSD bond angle | 0.955 |
Data reduction software | XDS |
Data scaling software | Aimless |
Phasing software | MOLREP |
Refinement software | PHENIX ((1.12_2829: ???)) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 45.070 | 1.270 |
High resolution limit [Å] | 1.250 | 1.250 |
Rmerge | 0.041 | 0.089 |
Number of reflections | 33757 | 1613 |
<I/σ(I)> | 28.8 | |
Completeness [%] | 97.9 | 96 |
Redundancy | 6 | |
CC(1/2) | 0.997 | 0.951 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 277 | 0.1 M MES, pH6.5, 0.1 M MgCl2, 20% PEG6K, 10% EG |