3DWY
Crystal Structure of the Bromodomain of Human CREBBP
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 | 2008-06-19 |
| Detector | RIGAKU RAXIS IV |
| Wavelength(s) | 1.5 |
| Spacegroup name | H 3 |
| Unit cell lengths | 121.484, 121.484, 40.378 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 23.650 - 1.980 |
| R-factor | 0.162 |
| Rwork | 0.159 |
| R-free | 0.21900 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | ensemble of 2NXB 2oo1 2oss 2ouo 2rfj 3dai |
| RMSD bond length | 0.015 |
| RMSD bond angle | 1.414 |
| Data reduction software | MOSFLM |
| Data scaling software | SCALA (3.3.2) |
| Phasing software | PHASER |
| Refinement software | REFMAC |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 23.650 | 2.090 |
| High resolution limit [Å] | 1.980 | 1.980 |
| Rmerge | 0.086 | 0.624 |
| Number of reflections | 15467 | |
| <I/σ(I)> | 11.6 | 2 |
| Completeness [%] | 99.9 | 100 |
| Redundancy | 3.7 | 3.6 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 7.5 | 277 | 0.2M KSCN, 25% PEG3350, 5% EtGly, pH 7.5, VAPOR DIFFUSION, SITTING DROP, temperature 277K |
