10EE

Cannabis sativa O methyl transferase 1

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	2022-09-23
Detector	DECTRIS EIGER X 9M
Wavelength(s)	0.9537
Spacegroup name	P 61 2 2
Unit cell lengths	89.990, 89.990, 217.210
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	44.060 - 1.650
R-factor	0.1557
Rwork	0.155
R-free	0.17320
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.009
RMSD bond angle	0.958
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	PHENIX
Refinement software	PHENIX (1.19_4092)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	44.060	1.709
High resolution limit [Å]	1.650	1.650
Rmerge	0.131	2.650
Number of reflections	63341	6194
<I/σ(I)>	21.78	2.07
Completeness [%]	100.0	100
Redundancy	39.4
CC(1/2)	0.999	0.732

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	5.5	293	200 mM ammonium acetate, 100 mM BIS-Tris pH 5.5, 25 % w/v PEG 3350