6ST1

Taurine ABC transporter substrate binding protein TauA from E. coli in complex with 2-(N-Morpholino)ethanesulfonic acid (MES)

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	DIAMOND BEAMLINE I24
Synchrotron site	Diamond
Beamline	I24
Temperature [K]	100
Detector technology	PIXEL
Collection date	2018-09-17
Detector	DECTRIS PILATUS3 6M
Wavelength(s)	0.9686
Spacegroup name	P 21 21 21
Unit cell lengths	45.220, 73.020, 163.900
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	40.970 - 1.550
Rwork	0.193
R-free	0.23100
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	6stl
Data reduction software	xia2
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	PHENIX

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	40.970	1.590
High resolution limit [Å]	1.550	1.550
Rmerge	0.090	1.220
Number of reflections	77044	5553
<I/σ(I)>	8	1
Completeness [%]	97.0
Redundancy	4.7
CC(1/2)	1.000	0.500

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 MES