7NQ3
C-TERMINAL BROMODOMAIN OF HUMAN BRD2 WITH N4-((1R,5S,6r)-3-oxabicyclo[3.1.0]hexan-6-yl)-6-((S)-methoxy(phenyl)methyl)-N2-methylpyridine-2,4-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 | 2016-10-25 |
Detector | RIGAKU SATURN A200 |
Wavelength(s) | 1.54178 |
Spacegroup name | P 21 21 2 |
Unit cell lengths | 72.101, 52.529, 32.058 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 42.456 - 1.603 |
Rwork | 0.158 |
R-free | 0.19440 |
Structure solution method | FOURIER SYNTHESIS |
RMSD bond length | 0.003 |
RMSD bond angle | 1.173 |
Data reduction software | XDS |
Data scaling software | Aimless |
Refinement software | REFMAC (5.8.0258) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 52.530 | 1.690 |
High resolution limit [Å] | 1.600 | 1.600 |
Rmerge | 0.016 | 0.046 |
Number of reflections | 15547 | 1733 |
<I/σ(I)> | 43.1 | 16.4 |
Completeness [%] | 94.2 | 74.1 |
Redundancy | 2.9 | 2 |
CC(1/2) | 0.997 | 0.975 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION | 293 | 30% PEG 300, 0.1M MES buffer pH6.5 |