8XE2

O-methyltransferase from Lycoris longituba D230A 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	2022-06-14
Detector	DECTRIS EIGER X 4M
Wavelength(s)	1.04800
Spacegroup name	P 1 21 1
Unit cell lengths	49.514, 81.596, 116.427
Unit cell angles	90.00, 91.37, 90.00

Refinement procedure

Resolution	47.380 - 2.430
R-factor	0.2138
Rwork	0.207
R-free	0.24040
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.002
RMSD bond angle	0.551
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	2.520
High resolution limit [Å]	2.430	2.430
Rmerge	0.085	0.531
Number of reflections	67489	3709
<I/σ(I)>	10.7	2.4
Completeness [%]	99.9	100
Redundancy	4.3	4.4
CC(1/2)	0.995	0.691

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7	293	11% (w/v) PEG 8000, 0.2M MgCl2, 0.1M Tris-HCl (pH 7.0)