2VLC
Crystal structure of Natural Cinnamomin (Isoform III)
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | ROTATING ANODE |
Source details | RIGAKU ULTRAX 18 |
Temperature [K] | 100 |
Detector technology | IMAGE PLATE |
Detector | RIGAKU IMAGE PLATE |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 52.388, 126.329, 161.451 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 17.000 - 2.950 |
R-factor | 0.242 |
Rwork | 0.238 |
R-free | 0.30900 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 2aai |
RMSD bond length | 0.017 |
RMSD bond angle | 2.070 |
Data reduction software | d*TREK |
Data scaling software | d*TREK |
Phasing software | MOLREP |
Refinement software | REFMAC (5.2.0019) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 17.310 | 3.020 |
High resolution limit [Å] | 2.950 | 2.950 |
Rmerge | 0.120 | |
Number of reflections | 21826 | |
<I/σ(I)> | 5.3 | |
Completeness [%] | 98.9 | 99.2 |
Redundancy | 4 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | 6.5 | 0.15M CACL2, 10% (W/V) PEG8000, AND 0.1M SODIUM CACODYLATE AT PH 6.5 AND 24 |