8XE0

O-methyltransferase from Lycoris longituba M52W 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	2022-06-03
Detector	DECTRIS EIGER X 4M
Wavelength(s)	1.04800
Spacegroup name	P 2 21 21
Unit cell lengths	50.421, 80.862, 116.597
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	47.290 - 2.200
R-factor	0.2044
Rwork	0.203
R-free	0.23340
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.002
RMSD bond angle	0.555
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]	47.290	2.270
High resolution limit [Å]	2.200	2.200
Rmerge	0.082	1.156
Number of reflections	46653	2124
<I/σ(I)>	15	2.1
Completeness [%]	100.0	100
Redundancy	8.2	8.5
CC(1/2)	0.999	0.884

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	8	293	14% (w/v) PEG 8000, 0.2M MgCl2, 0.1M Tris-HCl (pH 8.0)