3KLN

Vibrio cholerae VpsT

Experimental procedure

Experimental method	MAD
Source type	SYNCHROTRON
Source details	NSLS BEAMLINE X29A
Synchrotron site	NSLS
Beamline	X29A
Temperature [K]	100
Detector technology	CCD
Detector	ADSC QUANTUM 315r
Wavelength(s)	0.9788
Spacegroup name	P 41 21 2
Unit cell lengths	121.489, 121.489, 198.290
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	45.899 - 3.078
R-factor	0.2505
Rwork	0.247
R-free	0.30830
Structure solution method	MAD
RMSD bond length	0.011
RMSD bond angle	1.271
Data reduction software	XDS
Data scaling software	XDS
Phasing software	SHELXS
Refinement software	PHENIX ((phenix.refine))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	3.270
High resolution limit [Å]	3.078	3.078
Number of reflections	52138
<I/σ(I)>	11.8	3.2
Completeness [%]	99.2	96.7
Redundancy	10	9.4

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7	293	0.1M Tris-Cl, 0.8M potassium sodium tartrate tetrahydrate, 3-5% PEG-MME 5000, 8-12% Xylitol, pH 7.0, VAPOR DIFFUSION, HANGING DROP, temperature 293K
1	VAPOR DIFFUSION, HANGING DROP	7	293	0.1M Tris-Cl, 0.8M potassium sodium tartrate tetrahydrate, 3-5% PEG-MME 5000, 8-12% Xylitol, pH 7.0, VAPOR DIFFUSION, HANGING DROP, temperature 293K
1	VAPOR DIFFUSION, HANGING DROP	7	293	0.1M Tris-Cl, 0.8M potassium sodium tartrate tetrahydrate, 3-5% PEG-MME 5000, 8-12% Xylitol, pH 7.0, VAPOR DIFFUSION, HANGING DROP, temperature 293K