7E4O

Class I Pimarane-Type Diterpene Synthases from Actinomycetes

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRF BEAMLINE BL19U1
Synchrotron site	SSRF
Beamline	BL19U1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2019-06-09
Detector	DECTRIS EIGER X 16M
Wavelength(s)	0.97918
Spacegroup name	P 42 21 2
Unit cell lengths	89.013, 89.013, 70.634
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	27.360 - 2.500
R-factor	0.228
Rwork	0.223
R-free	0.27590
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	7e4n
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	PHASER
Refinement software	PHENIX (1.17.1_3660)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	40.000	2.590
High resolution limit [Å]	2.500	2.500
Rmerge	0.084	0.515
Number of reflections	10288	1001
<I/σ(I)>	45	4.8
Completeness [%]	100.0
Redundancy	25.8	25.9

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		289	15% v/v Tacsimate TM pH 7.0, 0.1M HEPES pH 7.0, 2% w/v Polyethylene glycol 3350