4NYV
Crystal Structure of the Bromodomain of human CREBBP in complex with a quinazolin-one ligand
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Source details | RIGAKU FR-E+ SUPERBRIGHT |
| Temperature [K] | 100 |
| Detector technology | IMAGE PLATE |
| Collection date | 2010-04-15 |
| Detector | RIGAKU RAXIS IV |
| Wavelength(s) | 1.52 |
| Spacegroup name | P 1 |
| Unit cell lengths | 36.150, 55.680, 69.080 |
| Unit cell angles | 90.21, 104.03, 108.61 |
Refinement procedure
| Resolution | 27.270 - 1.830 |
| R-factor | 0.1946 |
| Rwork | 0.192 |
| R-free | 0.25100 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | Ensemble of PDB entries 3DAI 3hmh 2grc 2oo1 2oss 2ouo 3d7c and 3DWY |
| RMSD bond length | 0.016 |
| RMSD bond angle | 1.497 |
| Data reduction software | MOSFLM |
| Data scaling software | SCALA (3.3.16) |
| Phasing software | PHASER (2.1.4) |
| Refinement software | REFMAC |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 27.270 | 27.270 | 1.930 |
| High resolution limit [Å] | 1.830 | 5.790 | 1.830 |
| Rmerge | 0.053 | 0.037 | 0.399 |
| Number of reflections | 40271 | ||
| <I/σ(I)> | 10.1 | 20.9 | 2 |
| Completeness [%] | 92.5 | 96.6 | 92.5 |
| Redundancy | 2.4 | 2.4 | 2.4 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 7.5 | 277 | 0.15M KSCN, 25% PEG_3350, 5% ethylene glycol, pH 7.5, VAPOR DIFFUSION, SITTING DROP, temperature 277K |
