8UX5

OvsA M401Y/Q430N/A431F from Halomonas utahensis, a hercynine-binding variant with selenoneine-biosynthetic activity

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	2023-05-11
Detector	DECTRIS EIGER2 S 16M
Wavelength(s)	0.9686
Spacegroup name	P 65
Unit cell lengths	162.174, 162.174, 124.663
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	29.090 - 3.060
R-factor	0.2053
Rwork	0.203
R-free	0.25310
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.008
RMSD bond angle	1.103
Data reduction software	XDS (XDS-Apple_M1)
Data scaling software	XDS (XDS-Apple_M1)
Phasing software	PHASER (Phaser 1.20.1_4487)
Refinement software	PHENIX (1.20.1_4487)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	29.090	3.169
High resolution limit [Å]	3.060	3.060
Rmerge	0.037	0.661
Rmeas	0.052	0.935
Rpim	0.037	0.661
Number of reflections	35167	3456
<I/σ(I)>	14.1	1.09
Completeness [%]	99.8	99.97
Redundancy	2	2
CC(1/2)	0.999	0.501

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	4.6	293	0.1 M sodium acetate pH 4.6, 3.5 M sodium formate, 10 mM sarcosine