9BXK

OvsM from Marinimicrobium koreense, an ovoselenol-biosynthetic N-methyltransferase in complex with 5-selenohistidine and SAH

This is a non-PDB format compatible entry.

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	83.838, 90.058, 80.321
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	29.000 - 1.660
R-factor	0.1787
Rwork	0.178
R-free	0.20510
Structure solution method	SIR
RMSD bond length	0.011
RMSD bond angle	1.207
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]	29.000	1.719
High resolution limit [Å]	1.660	1.660
Rmerge	0.053	0.697
Rmeas	0.075	0.985
Rpim	0.053	0.697
Number of reflections	35794	3373
<I/σ(I)>	9.95	1.2
Completeness [%]	98.8	95.33
Redundancy	1.9	1.9
CC(1/2)	0.997	0.521

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	8.5	293	0.1 M Tris-HCl, pH 8.5, 0.2 M tri-sodium citrate, 30% v/v PEG400