8XDS

O-methyltransferase from Lycoris longituba 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	2021-12-19
Detector	DECTRIS EIGER X 4M
Wavelength(s)	1.04500
Spacegroup name	P 2 21 21
Unit cell lengths	49.490, 81.229, 118.468
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	47.860 - 1.970
R-factor	0.1618
Rwork	0.160
R-free	0.20150
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.004
RMSD bond angle	0.710
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]	47.860	2.020
High resolution limit [Å]	1.970	1.970
Rmerge	0.184	1.192
Number of reflections	65158	2376
<I/σ(I)>	11.5	2.3
Completeness [%]	99.9	99.8
Redundancy	11.8	12.1
CC(1/2)	0.997	0.770

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	8	293	24% (w/v) PEG 8000, 0.2M MgCl2, 0.1M Tris-HCl (pH 8.0)