9V41

Crystal Structure of tricyclene synthase

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRF BEAMLINE BL02U1
Synchrotron site	SSRF
Beamline	BL02U1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2025-01-05
Detector	DECTRIS EIGER2 S 9M
Wavelength(s)	0.979
Spacegroup name	P 21 21 21
Unit cell lengths	59.267, 108.860, 188.851
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	43.310 - 3.520
R-factor	0.2335
Rwork	0.228
R-free	0.28480
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.003
RMSD bond angle	0.578
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	PHENIX
Refinement software	PHENIX ((1.20.1_4487: ???))

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000	50.000	3.560
High resolution limit [Å]	3.500	9.480	3.500
Rmerge	0.296	0.092	0.719
Rmeas	0.320	0.100	0.785
Rpim	0.117	0.036	0.300
Total number of observations	105190
Number of reflections	14235	886	644
<I/σ(I)>	3.6
Completeness [%]	90.5	99.3	85.2
Redundancy	7.4	7.8	6.3
CC(1/2)	0.974	0.997	0.704

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		289	0.2 M Lithium sulfate 0.1 M Tris 8.5 16 % w/v PEG 3350