9VSH

Crystal structure of the germacrene A synthase FpGAS-T169G mutant in complex with substrate FPP

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRF BEAMLINE BL10U2
Synchrotron site	SSRF
Beamline	BL10U2
Temperature [K]	100
Detector technology	PIXEL
Collection date	2024-09-12
Detector	DECTRIS EIGER X 16M
Wavelength(s)	0.97918
Spacegroup name	P 31 2 1
Unit cell lengths	136.284, 136.284, 55.049
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	59.010 - 2.380
R-factor	0.2481
Rwork	0.246
R-free	0.28170
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.002
RMSD bond angle	0.490
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	AutoSol
Refinement software	PHENIX ((1.20.1_4487: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	118.030	2.440
High resolution limit [Å]	2.380	2.380
Rmerge	0.261	1.073
Rmeas	0.277	1.135
Rpim	0.091	0.368
Total number of observations	219271	16385
Number of reflections	23840	1729
<I/σ(I)>	5	1.6
Completeness [%]	100.0
Redundancy	9.2	9.5
CC(1/2)	0.980	0.823

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		291	0.1M HEPES, pH 7.5, 20% PEG 2000 MME