8XDR

O-methyltransferase from Lycoris aurea 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	49.373, 81.091, 116.770
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	47.380 - 1.830
R-factor	0.1684
Rwork	0.167
R-free	0.20450
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.010
RMSD bond angle	1.038
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]	47.380	1.870
High resolution limit [Å]	1.830	1.830
Rmerge	0.092	1.139
Number of reflections	78525	2469
<I/σ(I)>	14.5	2.1
Completeness [%]	98.6
Redundancy	8.3
CC(1/2)	0.999	0.735

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)