9WBA

O-methyltransferase PoOMT1/SAH/4'-hydroxyacetophenone

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRF BEAMLINE BL02U1
Synchrotron site	SSRF
Beamline	BL02U1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2024-10-07
Detector	DECTRIS EIGER2 S 9M
Wavelength(s)	0.97918
Spacegroup name	C 2 2 21
Unit cell lengths	65.780, 122.810, 89.440
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	32.400 - 1.830
R-factor	0.1989
Rwork	0.198
R-free	0.22110
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.003
RMSD bond angle	0.612
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	PHENIX (1.19.2_4158)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.620	1.880
High resolution limit [Å]	1.830	1.830
Number of reflections	31729	2015
<I/σ(I)>	19.1
Completeness [%]	98.2
Redundancy	10.8
CC(1/2)	0.990	0.578

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		291.15	0.2 M Ammonium sulfate, 0.1 M Bis-Tris (pH 6.5), and 25% (w/v) polyethylene glycol 3350.