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 |
