7CJY

Drimenol synthase from Persicaria hydropiper

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRF BEAMLINE BL17U1
Synchrotron site	SSRF
Beamline	BL17U1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2019-06-17
Detector	DECTRIS EIGER X 16M
Wavelength(s)	0.979
Spacegroup name	C 1 2 1
Unit cell lengths	232.530, 60.090, 106.220
Unit cell angles	90.00, 111.88, 90.00

Refinement procedure

Resolution	28.740 - 2.200
R-factor	0.1966
Rwork	0.195
R-free	0.23380
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5eau
RMSD bond length	0.008
RMSD bond angle	0.953
Phasing software	PHASER
Refinement software	PHENIX (1.17.1)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	28.740	2.279
High resolution limit [Å]	2.200	2.200
Rmerge	0.086	0.568
Rmeas	0.094	0.616
Rpim	0.037	0.237
Number of reflections	69159	6797
<I/σ(I)>	12.09	2.72
Completeness [%]	99.0	98.56
Redundancy	6.6	6.8
CC(1/2)	0.995	0.961

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	5.5	293	22.5% w/v PEG 3000, 0.1 M citrate, pH 5.5, 0.2 M ammonium acetate, 10% v/v glycerol