7W6G

TKS-L190G mutant from Cannabis sativa in complex with lauroyl-CoA

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	2021-01-31
Detector	DECTRIS EIGER X 4M
Wavelength(s)	1.070000
Spacegroup name	P 1
Unit cell lengths	58.021, 66.930, 95.094
Unit cell angles	93.45, 102.11, 100.20

Refinement procedure

Resolution	47.180 - 2.100
R-factor	0.1957
Rwork	0.194
R-free	0.23590
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	6gw3
RMSD bond length	0.004
RMSD bond angle	0.617
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]	47.180	2.140
High resolution limit [Å]	2.100	2.100
Rmerge	0.112	0.807
Rmeas	0.155	1.117
Number of reflections	148561	4413
<I/σ(I)>	4.8	1.1
Completeness [%]	97.6	96.4
Redundancy	3.5	3.6
CC(1/2)	0.993	0.684

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		293	0.2 M ammonium acetate, 20% PEG3350