9WAZ

O-methyltransferase PoOMT1/SAH

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRF BEAMLINE BL18U1
Synchrotron site	SSRF
Beamline	BL18U1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2024-04-11
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.987
Spacegroup name	C 2 2 21
Unit cell lengths	65.381, 123.385, 87.425
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	57.770 - 2.030
R-factor	0.1857
Rwork	0.184
R-free	0.22210
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.004
RMSD bond angle	0.727
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]	61.690	2.080
High resolution limit [Å]	2.030	2.030
Number of reflections	23093	1681
<I/σ(I)>	6.1
Completeness [%]	99.2
Redundancy	12.5
CC(1/2)	0.963	0.911

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		291.15	0.2 M MgCl2, 0.1 M Hepes (pH 7.5), and 25% (w/v) polyethylene glycol 3350