6HDR
Human DYRK2 bound to Curcumin
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | DIAMOND BEAMLINE I03 |
Synchrotron site | Diamond |
Beamline | I03 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2011-02-13 |
Detector | ADSC QUANTUM 4 |
Wavelength(s) | 0.9762 |
Spacegroup name | P 42 21 2 |
Unit cell lengths | 83.642, 83.642, 148.916 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 40.300 - 2.200 |
R-factor | 0.19248 |
Rwork | 0.190 |
R-free | 0.24263 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 4azf |
RMSD bond length | 0.008 |
RMSD bond angle | 1.272 |
Data reduction software | MOSFLM |
Data scaling software | SCALA |
Phasing software | REFMAC |
Refinement software | REFMAC (5.8.0230) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 40.260 | 2.320 |
High resolution limit [Å] | 2.200 | 2.200 |
Rmerge | 0.072 | 0.836 |
Number of reflections | 27566 | 3930 |
<I/σ(I)> | 15 | 2.3 |
Completeness [%] | 99.9 | 99.8 |
Redundancy | 5.9 | 5.7 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 277 | 0.2M sodium potassium phosphate, 20% PEG 3350 and 10% ethylene glycol |