3VTE
Crystal structure of tetrahydrocannabinolic acid synthase from Cannabis sativa
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | PHOTON FACTORY BEAMLINE AR-NW12A |
| Synchrotron site | Photon Factory |
| Beamline | AR-NW12A |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2006-06-11 |
| Detector | ADSC QUANTUM 210 |
| Wavelength(s) | 1.0000 |
| Spacegroup name | P 4 3 2 |
| Unit cell lengths | 177.946, 177.946, 177.946 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 44.490 - 2.750 |
| R-factor | 0.20111 |
| Rwork | 0.198 |
| R-free | 0.25039 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2axr |
| RMSD bond length | 0.018 |
| RMSD bond angle | 1.919 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.5.0109) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 44.500 | 2.850 |
| High resolution limit [Å] | 2.750 | 2.750 |
| Number of reflections | 25537 | |
| <I/σ(I)> | 14.6 | |
| Completeness [%] | 99.4 | 98.8 |
| Redundancy | 15.6 | 5.6 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 7.5 | 293 | 0.09M HEPES, 1.26M SODIUM CITRATE, pH 7.5, VAPOR DIFFUSION, HANGING DROP, temperature 293K |
