6UTC

Intra-chain disulfide bonded ToxR periplasmic domain from Vibrio vulnificus

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	NSLS-II BEAMLINE 17-ID-2
Synchrotron site	NSLS-II
Beamline	17-ID-2
Temperature [K]	100
Detector technology	PIXEL
Collection date	2019-03-02
Detector	DECTRIS EIGER X 16M
Wavelength(s)	0.97933
Spacegroup name	P 21 21 21
Unit cell lengths	39.970, 40.440, 50.280
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	28.428 - 1.249
R-factor	0.1944
Rwork	0.193
R-free	0.21260
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	Se-Met-VvToxRp
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	PHASER
Refinement software	PHENIX (1.15_3459)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	28.430	1.294
High resolution limit [Å]	1.249	1.249
Rmerge		0.919
Rmeas		1.018
Rpim		0.422
Number of reflections	20411	1084
<I/σ(I)>	23.84	1.3
Completeness [%]	87.8	47.13
Redundancy	11.2	5.3
CC(1/2)	1.000	0.474

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	6.3	298	4 mg/ml VvToxRp, 2.0 M Ammonium Sulfate, 0.1 M Na Cacodylate pH 6.3