3P1C
Crystal structure of the bromodomain of human CREBBP in complex with acetylated lysine
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 | 2008-07-13 |
Detector | RIGAKU RAXIS IV |
Wavelength(s) | 1.542 |
Spacegroup name | H 3 |
Unit cell lengths | 121.687, 121.687, 39.955 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 31.830 - 1.820 |
R-factor | 0.1684 |
Rwork | 0.166 |
R-free | 0.21800 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 3dwy |
RMSD bond length | 0.016 |
RMSD bond angle | 1.509 |
Data reduction software | MOSFLM |
Data scaling software | SCALA (3.3.2) |
Phasing software | PHASER (2.1.2) |
Refinement software | REFMAC |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 31.830 | 31.830 | 1.920 |
High resolution limit [Å] | 1.600 | 5.760 | 1.820 |
Rmerge | 0.055 | 0.034 | 0.434 |
Total number of observations | 1732 | 7630 | |
Number of reflections | 19778 | ||
<I/σ(I)> | 10.7 | 14.3 | 1.7 |
Completeness [%] | 100.0 | 99.3 | 100 |
Redundancy | 2.7 | 2.8 | 2.6 |
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 |