6QST
Structure of CREBBP bromodomain with compound 2 bound
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 | 2018-05-04 |
Detector | DECTRIS PILATUS 2M-F |
Wavelength(s) | 1.00003 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 54.489, 92.776, 62.813 |
Unit cell angles | 90.00, 94.21, 90.00 |
Refinement procedure
Resolution | 46.890 - 2.100 |
R-factor | 0.1889 |
Rwork | 0.187 |
R-free | 0.21890 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 4tqn |
RMSD bond length | 0.007 |
RMSD bond angle | 1.075 |
Data reduction software | XDS |
Data scaling software | XDS |
Phasing software | PHASER |
Refinement software | PHENIX ((1.14_3260: ???)) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 46.890 | 2.130 |
High resolution limit [Å] | 2.100 | 2.100 |
Rmeas | 0.069 | 0.618 |
Number of reflections | 36377 | 2970 |
<I/σ(I)> | 10.9 | 1.5 |
Completeness [%] | 99.9 | 100 |
Redundancy | 4.8 | 4.8 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 277 | 0.1 M Bis-Tris propane pH 7.5, 0.02 M Sodium/potassium phosphate, 20% w/v PEG 3350 |