5B0B
Polyketide cyclase OAC from Cannabis sativa, I7F 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 | 2014-11-09 |
| Detector | ADSC QUANTUM 210r |
| Wavelength(s) | 1.000 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 43.400, 45.253, 94.408 |
| Unit cell angles | 90.00, 96.30, 90.00 |
Refinement procedure
| Resolution | 43.138 - 2.187 |
| R-factor | 0.2041 |
| Rwork | 0.202 |
| R-free | 0.25370 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 5b08 |
| RMSD bond length | 0.010 |
| RMSD bond angle | 1.289 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | MOLREP |
| Refinement software | PHENIX |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 50.000 | 50.000 | 2.260 |
| High resolution limit [Å] | 2.180 | 4.700 | 2.180 |
| Rmerge | 0.074 | 0.038 | 0.296 |
| Rmeas | 0.087 | 0.045 | 0.346 |
| Rpim | 0.045 | 0.023 | 0.179 |
| Total number of observations | 70778 | ||
| Number of reflections | 19023 | ||
| <I/σ(I)> | 10.5 | ||
| Completeness [%] | 99.3 | 99.6 | 96 |
| Redundancy | 3.7 | 3.6 | 3.6 |
| CC(1/2) | 0.998 | 0.908 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 4.7 | 278 | 100 mM Sodium acetate, pH 4.7, 25% (w/v) PEG2000MME |
