3SVH
Crystal Structure of the bromdomain of human CREBBP in complex with a 3,5-dimethylisoxazol 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 | 2011-02-08 |
| Detector | RIGAKU RAXIS IV |
| Wavelength(s) | 1.52 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 42.360, 61.920, 58.420 |
| Unit cell angles | 90.00, 111.38, 90.00 |
Refinement procedure
| Resolution | 27.520 - 1.800 |
| R-factor | 0.1893 |
| Rwork | 0.187 |
| R-free | 0.22430 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3dwy |
| RMSD bond length | 0.016 |
| RMSD bond angle | 1.611 |
| 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] | 27.520 | 27.520 | 1.900 |
| High resolution limit [Å] | 1.800 | 5.690 | 1.800 |
| Rmerge | 0.095 | 0.084 | 0.265 |
| Total number of observations | 2200 | 9446 | |
| Number of reflections | 24922 | ||
| <I/σ(I)> | 8.1 | 4.3 | 2.9 |
| Completeness [%] | 95.4 | 97.6 | 92.4 |
| Redundancy | 2.7 | 2.6 | 2.7 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 7.5 | 277 | 0.25M KSCN, 10% PEG 3350, 5% EtGly, pH 7.5, VAPOR DIFFUSION, SITTING DROP, temperature 277K |
