7W6F
Polyketide cyclase OAC-F24I mutant from Cannabis sativa in complex with 6-nonylresorcylic acid
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | PHOTON FACTORY BEAMLINE BL-1A |
Synchrotron site | Photon Factory |
Beamline | BL-1A |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2020-12-19 |
Detector | DECTRIS EIGER X 4M |
Wavelength(s) | 1.070000 |
Spacegroup name | P 1 |
Unit cell lengths | 32.849, 39.317, 43.005 |
Unit cell angles | 70.91, 76.38, 67.38 |
Refinement procedure
Resolution | 40.320 - 1.580 |
R-factor | 0.1486 |
Rwork | 0.148 |
R-free | 0.16860 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 5b08 |
RMSD bond length | 0.006 |
RMSD bond angle | 1.007 |
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] | 40.320 | 1.610 |
High resolution limit [Å] | 1.580 | 1.580 |
Rmerge | 0.048 | 0.304 |
Rmeas | 0.067 | 0.430 |
Number of reflections | 47509 | 1188 |
<I/σ(I)> | 9.4 | 2.5 |
Completeness [%] | 96.0 | 93.8 |
Redundancy | 3.7 | 3.7 |
CC(1/2) | 0.998 | 0.884 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 6.5 | 293 | 0.1 M MES-NaOH pH 6.5, 25% PEG3350 |