8XDV

O-methyltransferase from Lycoris longituba M52S-F186Y variant complexed with Mg and SAH

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	PHOTON FACTORY BEAMLINE BL-1A
Synchrotron site	Photon Factory
Beamline	BL-1A
Temperature [K]	100
Detector technology	PIXEL
Collection date	2022-06-03
Detector	DECTRIS EIGER X 4M
Wavelength(s)	1.04800
Spacegroup name	P 2 21 21
Unit cell lengths	49.951, 80.894, 116.107
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	47.160 - 2.320
R-factor	0.2167
Rwork	0.215
R-free	0.24150
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.002
RMSD bond angle	0.553
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	PHENIX (1.17.1_3660)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	47.160	2.400
High resolution limit [Å]	2.320	2.320
Rmerge	0.101	1.038
Number of reflections	39195	2027
<I/σ(I)>	13.6	2.1
Completeness [%]	100.0	100
Redundancy	8.1	8.4
CC(1/2)	0.999	0.891

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	8	293	23% (w/v) PEG 8000, 0.2M MgCl2, 0.1M Tris-HCl (pH 8.0)