9BXJ

OvsM from Marinimicrobium koreense, an ovoselenol-biosynthetic N-methyltransferase in complex with SAM

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	CHESS BEAMLINE 7B2
Synchrotron site	CHESS
Beamline	7B2
Temperature [K]	100
Detector technology	PIXEL
Collection date	2023-10-19
Detector	DECTRIS EIGER2 S 16M
Wavelength(s)	0.9686
Spacegroup name	C 2 2 21
Unit cell lengths	83.966, 90.566, 79.517
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	28.870 - 1.560
R-factor	0.1939
Rwork	0.193
R-free	0.21440
Structure solution method	SIR
RMSD bond length	0.011
RMSD bond angle	1.367
Data reduction software	XDS (XDS-Apple_M1)
Data scaling software	XDS (XDS-Apple_M1)
Phasing software	PHASER (1.20.1_4487)
Refinement software	PHENIX (1.20.1_4487)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	28.870	1.616
High resolution limit [Å]	1.560	1.560
Rmerge	0.040	0.686
Rmeas	0.056	0.970
Rpim	0.040	0.686
Number of reflections	43317	4241
<I/σ(I)>	12.4	1.25
Completeness [%]	99.6	98.46
Redundancy	1.9	1.9
CC(1/2)	0.999	0.602

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	9	293	0.1 M bicine, pH 9.0, 10% w/v PEG6000