5B0E
Polyketide cyclase OAC from Cannabis sativa, V59M mutant
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 | 2014-11-22 |
| Detector | ADSC QUANTUM 210r |
| Wavelength(s) | 1.0000 |
| Spacegroup name | P 32 2 1 |
| Unit cell lengths | 47.710, 47.710, 176.940 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 41.318 - 1.603 |
| R-factor | 0.2133 |
| Rwork | 0.212 |
| R-free | 0.23480 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 5b08 |
| RMSD bond length | 0.009 |
| RMSD bond angle | 1.084 |
| Data reduction software | XDS |
| Data scaling software | Aimless |
| Phasing software | MOLREP |
| Refinement software | PHENIX ((phenix.refine: 1.9_1692)) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 1.700 |
| High resolution limit [Å] | 1.600 | 1.600 |
| Rmerge | 0.072 | 0.347 |
| Number of reflections | 31774 | |
| <I/σ(I)> | 26.2 | 7 |
| Completeness [%] | 99.9 | 99.7 |
| Redundancy | 10.7 | 10.6 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 278 | 100 mM Tris - HCl, pH 8.5, 15% (w/v) PEG 20000 |
