7OGY
C-TERMINAL BROMODOMAIN OF HUMAN BRD2 WITH 1-benzyl-N5-cyclopropyl-N3-methyl-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 | 2015-08-28 |
Detector | RIGAKU SATURN A200 |
Wavelength(s) | 1.54178 |
Spacegroup name | P 21 21 2 |
Unit cell lengths | 71.851, 52.411, 32.066 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 14.114 - 1.602 |
Rwork | 0.157 |
R-free | 0.19210 |
Structure solution method | FOURIER SYNTHESIS |
Starting model (for MR) | in house structure |
RMSD bond length | 0.003 |
RMSD bond angle | 1.152 |
Data reduction software | XDS |
Data scaling software | Aimless |
Refinement software | REFMAC (5.8.0267) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 71.850 | 1.690 |
High resolution limit [Å] | 1.600 | 1.600 |
Rmerge | 0.013 | 0.039 |
Number of reflections | 15652 | 1821 |
<I/σ(I)> | 51.7 | 20 |
Completeness [%] | 95.0 | 77 |
Redundancy | 2.7 | 1.8 |
CC(1/2) | 0.997 | 0.959 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION | 293 | 30% PEG 300, 0.1M MES buffer pH6.5 |