5LPJ
Crystal structure of the bromodomain of human CREBBP bound to the inhibitor XDM1
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 | 2014-10-07 |
Detector | PSI PILATUS 6M |
Wavelength(s) | 1.000 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 34.216, 49.246, 80.730 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 42.041 - 1.650 |
R-factor | 0.1703 |
Rwork | 0.167 |
R-free | 0.19590 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | apo-CBP |
RMSD bond length | 0.003 |
RMSD bond angle | 0.692 |
Data reduction software | XDS |
Data scaling software | Aimless (0.5.26) |
Phasing software | PHASER (2.6.0) |
Refinement software | PHENIX |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 49.250 | 1.290 |
High resolution limit [Å] | 1.270 | 1.270 |
Rmerge | 0.268 | 0.788 |
Number of reflections | 34576 | |
<I/σ(I)> | 6.7 | |
Completeness [%] | 93.2 | 20 |
Redundancy | 11 | 1.1 |
CC(1/2) | 0.997 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | EVAPORATION | 6.5 | 277 | LiSO4, PEG 3350 |