8ZWZ

terpene synthases with from Paramuricea clavata

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRF BEAMLINE BL10U2
Synchrotron site	SSRF
Beamline	BL10U2
Temperature [K]	80
Detector technology	PIXEL
Collection date	2023-12-23
Detector	DECTRIS EIGER2 S 9M
Wavelength(s)	0.97918
Spacegroup name	P 32 2 1
Unit cell lengths	85.284, 85.284, 106.137
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	73.860 - 3.500
R-factor	0.2612
Rwork	0.260
R-free	0.29560
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.004
RMSD bond angle	0.690
Data reduction software	DIALS
Data scaling software	DIALS
Phasing software	PHENIX
Refinement software	PHENIX ((1.20.1_4487: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	73.860	3.626
High resolution limit [Å]	3.500	3.501
Number of reflections	5948	572
<I/σ(I)>	2.3
Completeness [%]	99.8
Redundancy	17.7
CC(1/2)	0.967	0.807

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		277.15	0.2 M Tri-lithium citrate 20% polyethylene glycol (PEG) 3350