7OE4
C-TERMINAL BROMODOMAIN OF HUMAN BRD2 WITH N-methyl-4-propionyl-1H-pyrrole-2-carboxamide
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 | 2015-01-14 |
Detector | RIGAKU SATURN A200 |
Wavelength(s) | 1.54178 |
Spacegroup name | P 21 21 2 |
Unit cell lengths | 71.325, 52.773, 31.845 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 42.420 - 1.653 |
Rwork | 0.157 |
R-free | 0.18470 |
Structure solution method | FOURIER SYNTHESIS |
Starting model (for MR) | In house |
RMSD bond length | 0.003 |
RMSD bond angle | 1.150 |
Data reduction software | autoPROC |
Data scaling software | Aimless |
Refinement software | REFMAC (5.8.0267) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 42.420 | 1.740 |
High resolution limit [Å] | 1.650 | 1.650 |
Number of reflections | 14271 | 1789 |
<I/σ(I)> | 31.3 | 5.8 |
Completeness [%] | 95.9 | 85.2 |
Redundancy | 3 | 2.5 |
CC(1/2) | 0.999 | 0.821 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION | 298 | 30% PEG 300, 0.1M MES buffer pH6.5 |