8XDY

O-methyltransferase from Lycoris longituba M52A variant complexed with Mg, SAH, and 3,4-dihydroxybenzaldehyde

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	2022-03-20
Detector	DECTRIS EIGER X 4M
Wavelength(s)	1.05200
Spacegroup name	P 2 21 21
Unit cell lengths	49.857, 81.492, 117.872
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	47.760 - 2.200
R-factor	0.1791
Rwork	0.178
R-free	0.20130
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.003
RMSD bond angle	0.617
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]	47.760	2.270
High resolution limit [Å]	2.200	2.200
Rmerge	0.112	0.804
Number of reflections	46990	2173
<I/σ(I)>	12.6	2.5
Completeness [%]	100.0	100
Redundancy	7.4	7.7
CC(1/2)	0.998	0.842

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	8	293	15% (w/v) PEG 8000, 0.2M MgCl2, 0.1M Tris-HCl (pH 8.0)