10EF

Cannabis sativa O-methyl transferase 1 - DHR soak

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	CLSI BEAMLINE 08B1-1
Synchrotron site	CLSI
Beamline	08B1-1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2023-08-24
Detector	DECTRIS PILATUS 6M-F
Wavelength(s)	1.181
Spacegroup name	P 61 2 2
Unit cell lengths	90.500, 90.500, 217.770
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	44.300 - 2.250
R-factor	0.1859
Rwork	0.183
R-free	0.22220
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.008
RMSD bond angle	0.889
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	PHASER
Refinement software	PHENIX (1.21.2_5419)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	44.300	2.330
High resolution limit [Å]	2.250	2.250
Rmerge	0.085	2.571
Number of reflections	25903	2517
<I/σ(I)>	28.71	1.56
Completeness [%]	100.0	100
Redundancy	19	19.4
CC(1/2)	0.999	0.645

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		293	200 mM ammonium citrate dibasic, 20 % w/v PEG 3350