8XDU

O-methyltransferase from Lycoris longituba M52S 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	2022-03-07
Detector	DECTRIS EIGER X 4M
Wavelength(s)	1.05200
Spacegroup name	P 2 21 21
Unit cell lengths	49.529, 81.208, 121.110
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	48.540 - 1.920
R-factor	0.1559
Rwork	0.154
R-free	0.19840
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.007
RMSD bond angle	0.894
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]	48.540	1.970
High resolution limit [Å]	1.920	1.920
Rmerge	0.125	0.635
Number of reflections	72090	2517
<I/σ(I)>	12.8	3.7
Completeness [%]	100.0	100
Redundancy	8.8	9.3
CC(1/2)	0.998	0.893

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	8	293	20% (w/v) PEG 8000, 0.2M MgCl2, 0.1M Tris-HCl (pH 8.0)