9VSG

The crystal structure of (+)-germacrene A synthase FpGAS

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRF BEAMLINE BL19U1
Synchrotron site	SSRF
Beamline	BL19U1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2024-12-02
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.97861
Spacegroup name	P 31 2 1
Unit cell lengths	133.950, 133.950, 54.621
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	58.000 - 2.580
R-factor	0.1884
Rwork	0.185
R-free	0.21650
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.002
RMSD bond angle	0.369
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]	58.000	2.720
High resolution limit [Å]	2.580	2.580
Rmerge	0.373	1.715
Rmeas	0.383	1.760
Rpim	0.085	0.395
Total number of observations	356281	51251
Number of reflections	18066	2604
<I/σ(I)>	9.2	2.3
Completeness [%]	100.0
Redundancy	19.7	19.7
CC(1/2)	0.993	0.615

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		291	0.1M HEPES, pH 7.0, 18% PEG 12000