8U42

OvsA from Halomonas utahensis, a selenoxide synthase involved in ovoselenol biosynthesis

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 23-ID-B
Synchrotron site	APS
Beamline	23-ID-B
Temperature [K]	100
Detector technology	PIXEL
Collection date	2023-03-25
Detector	DECTRIS EIGER X 16M
Wavelength(s)	1.0332
Spacegroup name	P 21 21 21
Unit cell lengths	108.220, 115.410, 121.710
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	57.710 - 2.000
R-factor	0.1837
Rwork	0.183
R-free	0.20870
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.014
RMSD bond angle	1.217
Data reduction software	MOSFLM (7.4.0)
Data scaling software	Aimless (0.7.7)
Phasing software	PHASER (1.20.1_4487)
Refinement software	PHENIX (1.20.1_4487)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	57.710	2.071
High resolution limit [Å]	2.000	2.000
Rmerge	0.072	0.602
Rmeas	0.102	0.851
Rpim	0.072	0.602
Number of reflections	98747	9984
<I/σ(I)>	6.57	1.27
Completeness [%]	95.2	96.39
Redundancy	1.9	1.8
CC(1/2)	0.992	0.562

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	4.8	293	0.1 M sodium acetate pH 4.8, 3.5 M sodium formate