8U41

OvsA from Halomonas utahensis, an ovoselenol-biosynthetic selenoxide synthase in complex with histidine

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 21-ID-F
Synchrotron site	APS
Beamline	21-ID-F
Temperature [K]	100
Detector technology	CCD
Collection date	2023-02-18
Detector	RAYONIX MX-300
Wavelength(s)	0.9787
Spacegroup name	P 65
Unit cell lengths	160.129, 160.129, 122.312
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	69.340 - 2.720
R-factor	0.2256
Rwork	0.225
R-free	0.24630
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.005
RMSD bond angle	0.877
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]	69.340	2.817
High resolution limit [Å]	2.720	2.720
Rmerge	0.029	0.531
Rmeas	0.041	0.750
Rpim	0.029	0.531
Number of reflections	47873	4740
<I/σ(I)>	16.89	1.5
Completeness [%]	99.9	99.92
Redundancy	2	2
CC(1/2)	0.999	0.654

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	4.8	293	0.1 M sodium acetate pH 4.8, 3.9 M sodium formate