7OEP
C-TERMINAL BROMODOMAIN OF HUMAN BRD2 WITH 5-(1-(1,3-dimethoxypropan-2-yl)-5-morpholino-1H-benzo[d]imidazol-2-yl)-1,3-dimethylpyridin-2(1H)-one
This is a non-PDB format compatible entry.
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | ROTATING ANODE |
Source details | RIGAKU FR-E+ SUPERBRIGHT |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2015-03-04 |
Detector | RIGAKU SATURN A200 |
Wavelength(s) | 1.54178 |
Spacegroup name | P 21 21 2 |
Unit cell lengths | 71.735, 53.152, 32.046 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 26.500 - 1.801 |
Rwork | 0.173 |
R-free | 0.23700 |
Structure solution method | FOURIER SYNTHESIS |
Starting model (for MR) | in house structure |
RMSD bond length | 0.007 |
RMSD bond angle | 1.346 |
Data reduction software | XDS |
Data scaling software | Aimless |
Refinement software | REFMAC (5.8.0258) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 26.580 | 1.970 |
High resolution limit [Å] | 1.800 | 1.800 |
Rmerge | 0.035 | 0.179 |
Number of reflections | 11665 | 2773 |
<I/σ(I)> | 20.2 | 5 |
Completeness [%] | 98.5 | 99.4 |
Redundancy | 2.9 | 2.9 |
CC(1/2) | 0.992 | 0.765 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION | 293 | 30% PEG 300, 0.1M MES buffer pH6.5 |