6STL

Taurine ABC transporter substrate binding protein TauA from E. coli in complex with taurine

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	DIAMOND BEAMLINE I03
Synchrotron site	Diamond
Beamline	I03
Temperature [K]	100
Detector technology	PIXEL
Collection date	2017-06-24
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.9763
Spacegroup name	P 21 21 21
Unit cell lengths	44.960, 74.092, 164.118
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	43.360 - 1.300
Rwork	0.145
R-free	0.18300
Structure solution method	SAD
Data reduction software	XDS
Data scaling software	autoPROC
Phasing software	HKL2Map
Refinement software	PHENIX

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	67.530	1.810	1.330
High resolution limit [Å]	1.300	1.770	1.300
Rmerge	0.056	0.830	0.430
Number of reflections	130542	2202	6414
<I/σ(I)>	11	3.1	2.5
Completeness [%]	97.5	74	96.9
Redundancy	3.2
CC(1/2)	1.000	0.800	0.800

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	8.5	293	0.25 M sodium iodide, 0.1 M Bis-Tris propane, 24% (w/v) PEG 3350 + 10 mM taurine
1	VAPOR DIFFUSION, SITTING DROP	8.5	293	0.25 M sodium iodide, 0.1 M Bis-Tris propane, 24% (w/v) PEG 3350 + 10 mM taurine