8XDQ

O-methyltransferase from Lycoris aurea 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	2022-05-20
Detector	DECTRIS EIGER X 4M
Wavelength(s)	1.05200
Spacegroup name	P 2 21 21
Unit cell lengths	49.766, 81.374, 119.205
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	48.080 - 1.770
R-factor	0.1632
Rwork	0.162
R-free	0.19010
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.006
RMSD bond angle	0.869
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]	48.080	1.810
High resolution limit [Å]	1.770	1.770
Rmerge	0.099	1.084
Number of reflections	91013	2683
<I/σ(I)>	14.9	2.2
Completeness [%]	100.0	100
Redundancy	8.2	8.6
CC(1/2)	0.999	0.785

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7	293	23% (w/v) PEG 8000, 0.2M MgCl2, 0.1M Tris-HCl (pH 7.0)