7VPC

Neryl diphosphate synthase from Solanum lycopersicum

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	2021-07-28
Detector	DECTRIS EIGER X 9M
Wavelength(s)	1.0
Spacegroup name	C 1 2 1
Unit cell lengths	98.643, 49.464, 119.494
Unit cell angles	90.00, 91.21, 90.00

Refinement procedure

Resolution	49.360 - 1.940
R-factor	0.20298
Rwork	0.200
R-free	0.25502
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5hxt
RMSD bond length	0.008
RMSD bond angle	1.509
Data reduction software	DIALS
Data scaling software	XSCALE
Phasing software	MOLREP
Refinement software	REFMAC (5.8.0258)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	2.050
High resolution limit [Å]	1.940	1.940
Rmerge	0.320	1.405
Rmeas	0.351	1.556
Rpim	0.205	0.929
Number of reflections	83643	13527
<I/σ(I)>	5.61	1.07
Completeness [%]	99.3	98.9
Redundancy	3.16	2.99
CC(1/2)	0.929	0.523

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7	293	PEG 3350, DL-malic acid