5B0C
Polyketide cyclase OAC from Cannabis sativa, Y27F 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 1 21 1 |
| Unit cell lengths | 85.920, 30.320, 36.740 |
| Unit cell angles | 90.00, 108.53, 90.00 |
Refinement procedure
| Resolution | 36.496 - 1.602 |
| R-factor | 0.1946 |
| Rwork | 0.193 |
| R-free | 0.23030 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 5b08 |
| RMSD bond length | 0.007 |
| RMSD bond angle | 1.149 |
| 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 | 0.020 | 0.089 |
| Number of reflections | 23862 | |
| <I/σ(I)> | 42.3 | 13 |
| Completeness [%] | 99.3 | 98.6 |
| Redundancy | 3.6 | 3.5 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 278 | 100mM Sodium HEPES, pH 7.5, 25%(w/v) PEG3000 |
