6W26

Terpenoid Cyclase FgGS in Complex with Mg, Inorganic Pyrophosphate, and Imidazole

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRL BEAMLINE BL9-2
Synchrotron site	SSRL
Beamline	BL9-2
Temperature [K]	100
Detector technology	PIXEL
Collection date	2019-05-17
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.97946
Spacegroup name	P 21 21 21
Unit cell lengths	48.860, 87.201, 163.730
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	46.820 - 2.150
R-factor	0.2062
Rwork	0.204
R-free	0.25440
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5td7
RMSD bond length	0.006
RMSD bond angle	0.661
Data reduction software	iMOSFLM
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	PHENIX (1.14_3260)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	46.820	2.227
High resolution limit [Å]	2.150	2.150
Rmerge	0.090	0.252
Rpim	0.090	0.252
Number of reflections	38801	3834
<I/σ(I)>	4.9	2.83
Completeness [%]	99.5
Redundancy	6
CC(1/2)	0.973	0.642

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		277	5 mg/mL FgGS, 2 mM indole, 10 mM magnesium chloride, 2 mM sodium pyrophosphate, 0.1 M Ammonium sulfate, 0.1 M Imidazole (pH 7.3), 24% (w/v) PEG monomethyl ether 5k, and 2% PEG 400