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