7OE5
C-TERMINAL BROMODOMAIN OF HUMAN BRD2 WITH N5-hydroxycyclohexyl-N3-methyl-1-phenylethyl-1H-pyrazole-3,5-dicarboxamide
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 | 2016-12-18 |
Detector | RIGAKU SATURN A200 |
Wavelength(s) | 1.54178 |
Spacegroup name | P 21 21 2 |
Unit cell lengths | 71.786, 52.335, 32.174 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 27.409 - 1.602 |
Rwork | 0.164 |
R-free | 0.18790 |
Structure solution method | FOURIER SYNTHESIS |
Starting model (for MR) | in house |
RMSD bond length | 0.003 |
RMSD bond angle | 1.183 |
Data reduction software | XDS |
Data scaling software | Aimless |
Refinement software | REFMAC (5.8.0267) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 32.170 | 1.690 |
High resolution limit [Å] | 1.600 | 1.600 |
Rmerge | 0.027 | 0.306 |
Number of reflections | 15655 | 1866 |
<I/σ(I)> | 26.4 | 3.5 |
Completeness [%] | 94.9 | 79.2 |
Redundancy | 2.8 | 1.9 |
CC(1/2) | 0.999 | 0.515 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION | 298 | 30% PEG 300, 0.1M MES buffer pH6.5 |