9VSI

The crystal structure of the germacrene A synthase FpGAS-T169F mutant in complex with beta-farnesene

This is a non-PDB format compatible entry.

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	2024-10-28
Detector	DECTRIS EIGER X 16M
Wavelength(s)	0.97918
Spacegroup name	P 31 2 1
Unit cell lengths	134.160, 134.160, 55.510
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	40.130 - 2.430
R-factor	0.185
Rwork	0.183
R-free	0.22090
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.003
RMSD bond angle	0.531
Data reduction software	xia2.multiplex
Data scaling software	Aimless
Phasing software	AutoSol
Refinement software	PHENIX ((1.20.1_4487: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	42.770	2.490
High resolution limit [Å]	2.430	2.430
Rmerge	0.219	1.428
Rmeas	0.232	1.503
Rpim	0.075	0.468
Total number of observations	211370	16205
Number of reflections	21888	1587
<I/σ(I)>	9.4	2
Completeness [%]	99.9
Redundancy	9.7	10.2
CC(1/2)	0.996	0.492

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		291	0.1 M MES, pH6.5, 15% PEG 550 MME