8XDP

O-methyltransferase from Lycoris longituba 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	2021-12-19
Detector	DECTRIS EIGER X 4M
Wavelength(s)	1.04500
Spacegroup name	P 2 21 21
Unit cell lengths	49.781, 81.421, 118.454
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	47.900 - 1.750
R-factor	0.1594
Rwork	0.158
R-free	0.18890
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.004
RMSD bond angle	0.760
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]	47.900	1.780
High resolution limit [Å]	1.750	1.750
Rmerge	0.108	1.366
Number of reflections	93813	2710
<I/σ(I)>	15.9	2.2
Completeness [%]	100.0	100
Redundancy	13.5	14.1
CC(1/2)	0.999	0.858

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	8	293	21% (w/v) PEG 8000, 0.2M MgCl2, 0.1M Tris-HCl (pH 8.0)