7Y88

class I diterpene synthase (CyS-GGPP-Mg2+) 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	2021-10-23
Detector	DECTRIS EIGER2 S 9M
Wavelength(s)	0.97918
Spacegroup name	F 2 2 2
Unit cell lengths	100.560, 113.137, 138.052
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	43.753 - 1.870
R-factor	0.1827
Rwork	0.181
R-free	0.20530
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	7y50
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	PHASES
Refinement software	PHENIX (1.19.2_4158)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	56.570	1.910
High resolution limit [Å]	1.870	1.870
Rmerge	0.080	0.497
Number of reflections	32571	3231
<I/σ(I)>	19.7
Completeness [%]	100.0
Redundancy	12.9

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