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 |
