5KEW

Vibrio parahaemolyticus VtrA/VtrC complex bound to the bile salt taurodeoxycholate

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 19-ID
Synchrotron site	APS
Beamline	19-ID
Temperature [K]	100
Detector technology	PIXEL
Collection date	2016-02-19
Detector	DECTRIS PILATUS3 X 1M
Wavelength(s)	0.97926
Spacegroup name	P 21 21 21
Unit cell lengths	55.385, 71.276, 203.726
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	35.638 - 2.103
R-factor	0.1982
Rwork	0.197
R-free	0.23100
RMSD bond length	0.002
RMSD bond angle	0.487
Data reduction software	HKL-3000
Data scaling software	HKL-3000
Phasing software	PHENIX (1.10.1_2155)
Refinement software	PHENIX (1.10.1_2155)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	35.638	50.000	2.140
High resolution limit [Å]	2.100	5.700	2.100
Rmerge	0.079	0.037	0.362
Rmeas	0.090
Rpim	0.043
Total number of observations	176526
Number of reflections	45762
<I/σ(I)>	9.4
Completeness [%]	95.6	97.7	79.4
Redundancy	3.9	4.1	2.8

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	4.6	293	2.0 M ammonium sulfate, 0.1 M sodium acetate, 0.5 mM taurodeoxycholine, 22.5% ethylene glycol