5B0G
Polyketide cyclase OAC from Cannabis sativa, H78S 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 | 2014-12-12 |
| Detector | ADSC QUANTUM 210r |
| Wavelength(s) | 1.0000 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 85.000, 32.690, 36.620 |
| Unit cell angles | 90.00, 108.25, 90.00 |
Refinement procedure
| Resolution | 40.362 - 1.400 |
| R-factor | 0.1779 |
| Rwork | 0.177 |
| R-free | 0.20050 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 5b08 |
| RMSD bond length | 0.009 |
| RMSD bond angle | 1.162 |
| Data reduction software | XDS |
| Data scaling software | Aimless |
| Phasing software | MOLREP |
| Refinement software | PHENIX (1.10_2152) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 1.480 |
| High resolution limit [Å] | 1.400 | 1.400 |
| Rmerge | 0.033 | 0.130 |
| Number of reflections | 18918 | |
| <I/σ(I)> | 25.3 | 9.1 |
| Completeness [%] | 99.2 | 98.7 |
| 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, 30% (w/v) PEG4000 |
