5B0F
Polyketide cyclase OAC from Cannabis sativa, Y72F mutant
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | PHOTON FACTORY BEAMLINE BL-17A |
| Synchrotron site | Photon Factory |
| Beamline | BL-17A |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2014-05-31 |
| Detector | ADSC QUANTUM 270 |
| Wavelength(s) | 0.9800 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 35.810, 63.590, 46.590 |
| Unit cell angles | 90.00, 108.33, 90.00 |
Refinement procedure
| Resolution | 44.226 - 1.600 |
| R-factor | 0.1777 |
| Rwork | 0.175 |
| R-free | 0.22260 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 5b08 |
| RMSD bond length | 0.006 |
| RMSD bond angle | 1.005 |
| 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 | 0.056 | 0.596 |
| Number of reflections | 25752 | |
| <I/σ(I)> | 19.1 | 3 |
| Completeness [%] | 98.0 | 96.7 |
| Redundancy | 5.7 | 5.6 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 278 | 300 mM tris - Sodium citrate, 33% (w/v) PEG6000 |
