8X37

Neryl diphosphate synthase from Solanum lycopersicum complexed with DMSAPP

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SPRING-8 BEAMLINE BL32XU
Synchrotron site	SPring-8
Beamline	BL32XU
Temperature [K]	80
Detector technology	PIXEL
Collection date	2021-10-01
Detector	DECTRIS EIGER X 9M
Wavelength(s)	1.0
Spacegroup name	C 1 2 1
Unit cell lengths	98.260, 50.270, 120.250
Unit cell angles	90.00, 91.33, 90.00

Refinement procedure

Resolution	49.165 - 1.980
Rwork	0.221
R-free	0.27440
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	7vpc
RMSD bond length	0.006
RMSD bond angle	1.471
Data reduction software	DIALS
Data scaling software	XDS
Phasing software	PHASER
Refinement software	REFMAC (5.8.0419)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	2.080
High resolution limit [Å]	1.980	1.980
Rmeas	0.124	2.650
Number of reflections	41220	6606
<I/σ(I)>	8.52	1.05
Completeness [%]	100.0	100
Redundancy	6.6	6.8
CC(1/2)	0.993	0.750

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7	293	PEG3350, DL-Malic acid