3P1D
Crystal structure of the bromodomain of human CREBBP in complex with N-Methyl-2-pyrrolidone (NMP)
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 | 2009-10-29 |
| Detector | RIGAKU RAXIS IV |
| Wavelength(s) | 1.542 |
| Spacegroup name | H 3 |
| Unit cell lengths | 121.549, 121.549, 40.230 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 19.760 - 1.860 |
| R-factor | 0.16952 |
| Rwork | 0.167 |
| R-free | 0.21819 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3dwy |
| RMSD bond length | 0.015 |
| RMSD bond angle | 1.500 |
| Data reduction software | MOSFLM |
| Data scaling software | SCALA (3.3.9) |
| Phasing software | PHASER (2.1.4) |
| Refinement software | REFMAC |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 19.760 | 19.758 | 1.960 |
| High resolution limit [Å] | 1.860 | 5.880 | 1.860 |
| Rmerge | 0.067 | 0.027 | 0.629 |
| Number of reflections | 18613 | ||
| <I/σ(I)> | 11.8 | 17.3 | 1.2 |
| Completeness [%] | 99.9 | 97.4 | 100 |
| Redundancy | 3.7 | 3.8 | 3.6 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 7.5 | 277 | 0.2M KSCN 20% PEG3350 5% EtGly, pH 7.5, VAPOR DIFFUSION, SITTING DROP, temperature 277K |
