7NPY
C-TERMINAL BROMODOMAIN OF HUMAN BRD2 WITH 6-benzyl-N2-methyl-N4-((1S,2S)-2-methylcyclopropyl)pyridine-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 | 2014-09-25 |
Detector | RIGAKU |
Wavelength(s) | 1.54178 |
Spacegroup name | P 21 21 2 |
Unit cell lengths | 72.047, 52.310, 32.087 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 14.656 - 1.601 |
Rwork | 0.146 |
R-free | 0.17310 |
Structure solution method | FOURIER SYNTHESIS |
RMSD bond length | 0.004 |
RMSD bond angle | 1.235 |
Data reduction software | XDS |
Data scaling software | Aimless |
Refinement software | REFMAC (5.8.0258) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 52.310 | 1.690 |
High resolution limit [Å] | 1.600 | 1.600 |
Rmerge | 0.018 | 0.094 |
Number of reflections | 15851 | 1793 |
<I/σ(I)> | 36.8 | 9.9 |
Completeness [%] | 95.5 | 75.2 |
Redundancy | 2.9 | |
CC(1/2) | 0.999 | 0.890 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION | 293 | 30% PEG 300, 0.1M MES buffer pH6.5 |