7W6D
Polyketide cyclase OAC-F24I mutant from Cannabis sativa in complex with olivetolic acid
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 | PIXEL |
Collection date | 2020-06-22 |
Detector | DECTRIS EIGER X 16M |
Wavelength(s) | 0.98000 |
Spacegroup name | P 1 |
Unit cell lengths | 32.795, 39.431, 43.412 |
Unit cell angles | 70.38, 75.48, 67.78 |
Refinement procedure
Resolution | 40.480 - 1.540 |
R-factor | 0.153 |
Rwork | 0.152 |
R-free | 0.17600 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 5b08 |
RMSD bond length | 0.006 |
RMSD bond angle | 0.918 |
Data reduction software | XDS |
Data scaling software | pointless |
Phasing software | PHASER |
Refinement software | PHENIX (1.17.1_3660) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 40.480 | 1.570 |
High resolution limit [Å] | 1.540 | 1.540 |
Rmerge | 0.059 | 0.148 |
Rmeas | 0.080 | 0.200 |
Number of reflections | 51358 | 1259 |
<I/σ(I)> | 10 | 7 |
Completeness [%] | 95.4 | 90.6 |
Redundancy | 4 | 4 |
CC(1/2) | 0.996 | 0.975 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 6.5 | 293 | 0.1 M MES-NaOH pH 6.5, 30% PEG3350, 1.2% 1,3-butanediol |