8X36

Neryl diphosphate synthase from Solanum lycopersicum complexed with DMSAPP, IPP, and magnesium ion (form B)

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	97.520, 48.680, 121.130
Unit cell angles	90.00, 90.69, 90.00

Refinement procedure

Resolution	48.760 - 2.280
R-factor	0.1968
Rwork	0.194
R-free	0.25210
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	7vpc
RMSD bond length	0.007
RMSD bond angle	1.023
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	2.420
High resolution limit [Å]	2.280	2.280
Rmeas	0.250	4.670
Number of reflections	26172	4178
<I/σ(I)>	8.75	1.31
Completeness [%]	99.8	99.7
Redundancy	6	6.2
CC(1/2)	0.989	0.521

Crystallization Conditions

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