9OPS
Structural Insights into Monoterpene Cyclisation of Limonene Synthase from Cannabis sativa
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | AUSTRALIAN SYNCHROTRON BEAMLINE MX2 |
| Synchrotron site | Australian Synchrotron |
| Beamline | MX2 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2024-11-05 |
| Detector | DECTRIS EIGER2 X 16M |
| Wavelength(s) | 0.954 |
| Spacegroup name | P 32 2 1 |
| Unit cell lengths | 97.336, 97.336, 117.723 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 19.840 - 3.200 |
| R-factor | 0.2328 |
| Rwork | 0.230 |
| R-free | 0.28760 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.003 |
| RMSD bond angle | 0.591 |
| Data reduction software | XDS |
| Data scaling software | XDS |
| Phasing software | PHASER |
| Refinement software | PHENIX ((1.21.1_5286: ???)) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 60.000 | 3.250 |
| High resolution limit [Å] | 3.200 | 3.200 |
| Rmerge | 0.290 | 0.450 |
| Number of reflections | 10899 | 545 |
| <I/σ(I)> | 7.5 | |
| Completeness [%] | 99.1 | 100 |
| Redundancy | 7.5 | 7.9 |
| CC(1/2) | 0.980 | 0.120 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 7 | 298 | 20 mM Tris-HCl (pH 7.0), 100 mM MgCl2, 100 mM NaCl, 30% PEG-3350 |
