6SQF
Crystal structure of CREBBP bromodomain complexed with LB32A
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 | 2019-04-04 |
Detector | DECTRIS PILATUS 2M-F |
Wavelength(s) | 1 |
Spacegroup name | C 1 2 1 |
Unit cell lengths | 86.800, 37.380, 41.670 |
Unit cell angles | 90.00, 102.96, 90.00 |
Refinement procedure
Resolution | 42.290 - 2.006 |
Rwork | 0.181 |
R-free | 0.21460 |
Structure solution method | MOLECULAR REPLACEMENT |
Data reduction software | XDS |
Data scaling software | XSCALE |
Phasing software | PHASER |
Refinement software | PHENIX |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 42.290 | 2.130 |
High resolution limit [Å] | 2.000 | 2.000 |
Number of reflections | 8777 | 1396 |
<I/σ(I)> | 9.42 | |
Completeness [%] | 98.4 | |
Redundancy | 3.4 | |
CC(1/2) | 0.995 | 0.901 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 277.15 | 0.1M MES pH 6.5, 12% PEG 20000 |