5B0D
Polyketide cyclase OAC from Cannabis sativa, Y27W 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 | 82.110, 29.830, 36.440 |
| Unit cell angles | 90.00, 96.55, 90.00 |
Refinement procedure
| Resolution | 34.585 - 1.801 |
| R-factor | 0.1983 |
| Rwork | 0.196 |
| R-free | 0.24530 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 5b08 |
| RMSD bond length | 0.009 |
| RMSD bond angle | 1.199 |
| 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 | 1.910 |
| High resolution limit [Å] | 1.800 | 1.800 |
| Rmerge | 0.075 | 0.587 |
| Number of reflections | 16563 | |
| <I/σ(I)> | 13.1 | 2.4 |
| Completeness [%] | 99.5 | 98.8 |
| Redundancy | 3.6 | 3.5 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 278 | 100 mM MES, pH 6.5, 25% (w/v) PEG3000 |
