5ENG
Crystal structure of the bromodomain of human CREBBP in complex with UP39
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 | 2015-07-05 |
| Detector | DECTRIS PILATUS3 6M |
| Wavelength(s) | 0.99987 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 34.237, 49.710, 80.346 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 40.173 - 1.300 |
| R-factor | 0.1645 |
| Rwork | 0.164 |
| R-free | 0.17250 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 4nr5 |
| RMSD bond length | 0.008 |
| RMSD bond angle | 1.113 |
| Data reduction software | XDS |
| Data scaling software | SCALA (3.3.22) |
| Phasing software | PHASER (2.5.7) |
| Refinement software | PHENIX |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 42.273 | 40.173 | 1.370 |
| High resolution limit [Å] | 1.300 | 4.110 | 1.300 |
| Rmerge | 0.021 | 0.162 | |
| Rmeas | 0.033 | ||
| Rpim | 0.012 | 0.009 | 0.074 |
| Total number of observations | 230177 | 8023 | 25725 |
| Number of reflections | 34079 | ||
| <I/σ(I)> | 33.2 | 70.8 | 9.5 |
| Completeness [%] | 98.7 | 99.5 | 94.4 |
| Redundancy | 6.8 | 6.5 | 5.5 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 7.5 | 277 | 0.2M KSCN, 20% PEG3350, 10% EtGly, pH 7.5, VAPOR DIFFUSION, SITTING DROP, temperature 277K |
