26AE

Crystal structure of SchOMT2-SAM from Schisandra chinensis

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRF BEAMLINE BL10U2
Synchrotron site	SSRF
Beamline	BL10U2
Temperature [K]	100
Detector technology	PIXEL
Collection date	2025-06-28
Detector	DECTRIS EIGER X 16M
Wavelength(s)	0.97918
Spacegroup name	P 1
Unit cell lengths	44.333, 57.480, 79.522
Unit cell angles	88.39, 74.15, 75.27

Refinement procedure

Resolution	21.180 - 1.630
R-factor	0.2208
Rwork	0.218
R-free	0.26720
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.008
RMSD bond angle	0.999
Data reduction software	XDS
Data scaling software	XDS
Phasing software	PHENIX
Refinement software	PHENIX (1.20.1_4487)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	76.420	1.720
High resolution limit [Å]	1.630	1.630
Rmerge	0.075	0.649
Rmeas	0.106	0.918
Rpim	0.075	0.649
Number of reflections	71849	5386
<I/σ(I)>	8.1	1.1
Completeness [%]	78.6
Redundancy	3
CC(1/2)	0.978	0.495

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		289	0.2M KCl 0.05M HEPES pH7.1 35% Pentaerythritol propoxylate(5/4 PO/OH)