8U2F

Vibrio parahaemolyticus ToxS periplasmic domain

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	NSLS-II BEAMLINE 17-ID-1
Synchrotron site	NSLS-II
Beamline	17-ID-1
Temperature [K]	80
Detector technology	PIXEL
Collection date	2023-02-12
Detector	DECTRIS EIGER X 9M
Wavelength(s)	0.920112
Spacegroup name	P 21 21 21
Unit cell lengths	53.850, 58.330, 89.680
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	26.930 - 2.000
R-factor	0.2133
Rwork	0.208
R-free	0.26340
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.007
RMSD bond angle	0.928
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	PHENIX
Refinement software	PHENIX (1.20.1_4487)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	26.930	2.076
High resolution limit [Å]	2.000	2.000
Rmerge	0.103
Rmeas	0.110
Number of reflections	19563	1912
<I/σ(I)>	10.7
Completeness [%]	99.8
Redundancy	8.8
CC(1/2)	0.998	0.548

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		298.15	100 mM Hepes free acid, Sodium hydroxide pH 7.5, 200 mM Sodium malonate dibasic pH 7.0, 20% (w/v) PEG 2000