7SGY

Cannabis sativa bibenzyl synthase

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	CLSI BEAMLINE 08ID-1
Synchrotron site	CLSI
Beamline	08ID-1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2020-03-01
Detector	DECTRIS PILATUS3 S 6M
Wavelength(s)	0.98011
Spacegroup name	P 1 21 1
Unit cell lengths	69.440, 59.580, 70.940
Unit cell angles	90.00, 107.70, 90.00

Refinement procedure

Resolution	44.690 - 2.500
R-factor	0.1867
Rwork	0.184
R-free	0.22770
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	6dxb
RMSD bond length	0.002
RMSD bond angle	0.460
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	PHASER
Refinement software	PHENIX (1.18.2_3874)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	44.690	2.600
High resolution limit [Å]	2.500	2.500
Rmeas		0.587
Number of reflections	19257	2127
<I/σ(I)>	9.23
Completeness [%]	99.6	99.6
Redundancy	3.36
CC(1/2)	0.997	0.818

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	8	293	5 mg/ml protein, 0.15 M potassium bromide, 30 % polyethylene glycol mono-methyl ether 2000