3P1E
Crystal structure of the bromodomain of human CREBBP in complex with dimethyl sulfoxide (DMSO)
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 | 2010-08-10 |
Detector | RIGAKU RAXIS IV |
Wavelength(s) | 1.542 |
Spacegroup name | H 3 |
Unit cell lengths | 121.850, 121.850, 40.550 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 28.435 - 1.800 |
R-factor | 0.1823 |
Rwork | 0.179 |
R-free | 0.23570 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 3dwy |
RMSD bond length | 0.015 |
RMSD bond angle | 1.450 |
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] | 28.435 | 28.435 | 1.900 |
High resolution limit [Å] | 1.800 | 5.690 | 1.800 |
Rmerge | 0.095 | 0.068 | 0.456 |
Total number of observations | 1563 | 6709 | |
Number of reflections | 20816 | ||
<I/σ(I)> | 4.8 | 7.1 | 1.1 |
Completeness [%] | 99.9 | 98 | 99.9 |
Redundancy | 2.3 | 2.4 | 2.2 |
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 |