5B09
Polyketide cyclase OAC from Cannabis sativa bound with Olivetolic acid
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | PHOTON FACTORY BEAMLINE AR-NE3A |
| Synchrotron site | Photon Factory |
| Beamline | AR-NE3A |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2014-06-14 |
| Detector | ADSC QUANTUM 270 |
| Wavelength(s) | 1.0000 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 86.480, 30.440, 36.890 |
| Unit cell angles | 90.00, 108.47, 90.00 |
Refinement procedure
| Resolution | 32.112 - 1.700 |
| R-factor | 0.1981 |
| Rwork | 0.197 |
| R-free | 0.22300 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 5b08 |
| RMSD bond length | 0.010 |
| RMSD bond angle | 1.156 |
| Data reduction software | XDS |
| Data scaling software | Aimless |
| Phasing software | PHASER (2.5.6) |
| Refinement software | PHENIX ((phenix.refine: 1.9_1692)) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 1.800 |
| High resolution limit [Å] | 1.700 | 1.700 |
| Rmerge | 0.041 | 0.310 |
| Number of reflections | 10098 | |
| <I/σ(I)> | 27.9 | 5.1 |
| Completeness [%] | 98.5 | 92.3 |
| Redundancy | 6.8 | 4.7 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 8.8 | 278 | 100mM Tris - HCl pH 8.8, 25%(w/v) PEG6000, 50mM olivetolic acid, 5%(v/v) methanol |
