6FRF
Crystal structure of CREBBP bromodomain complexd with PA10
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 | 2017-09-15 |
Detector | DECTRIS PILATUS 2M |
Wavelength(s) | 0.999989 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 54.644, 93.882, 62.531 |
Unit cell angles | 90.00, 94.22, 90.00 |
Refinement procedure
Resolution | 47.131 - 2.100 |
R-factor | 0.1788 |
Rwork | 0.176 |
R-free | 0.22830 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 3dwy |
RMSD bond length | 0.008 |
RMSD bond angle | 1.051 |
Data reduction software | XDS |
Data scaling software | Aimless |
Phasing software | MOLREP |
Refinement software | PHENIX ((1.13_2998: ???)) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 47.131 | 2.160 |
High resolution limit [Å] | 2.100 | 2.100 |
Rmerge | 0.058 | 0.602 |
Number of reflections | 36396 | 2948 |
<I/σ(I)> | 15.1 | 2.2 |
Completeness [%] | 99.1 | 98.6 |
Redundancy | 4.7 | 4.2 |
CC(1/2) | 0.999 | 0.769 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 277 | 0.1 M Sodium Citrate, pH 5.6, 1.3 M Ammonium Sulfate |