7Y50

Class I diterpene synthase (CyS) from Streptomyces cattleya

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	2021-07-03
Detector	DECTRIS EIGER X 9M
Wavelength(s)	0.9792
Spacegroup name	F 2 2 2
Unit cell lengths	99.910, 112.673, 138.104
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	49.950 - 2.000
R-factor	0.1773
Rwork	0.175
R-free	0.20630
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	6tbd
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	PHASER
Refinement software	PHENIX (1.19.2_4158)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	65.850	2.050
High resolution limit [Å]	2.000	2.000
Rmerge	0.148	0.521
Number of reflections	34083	4818
<I/σ(I)>	13.6	6.7
Completeness [%]	99.6
Redundancy	10.4

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	6.5	289	1000 mM Sodium citrate tribasic and 100 mM Sodium cacodylate / Hydrochloric acid pH 6.5