6LGZ

Crystal structure of a cysteine-pair mutant (P10C-S291C) of a bacterial bile acid transporter in an inward-facing state complexed with sulfate

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRF BEAMLINE BL18U1
Synchrotron site	SSRF
Beamline	BL18U1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2018-10-19
Detector	DECTRIS PILATUS3 6M
Wavelength(s)	0.9793
Spacegroup name	P 21 2 21
Unit cell lengths	88.578, 44.416, 71.564
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	39.704 - 2.428
R-factor	0.2363
Rwork	0.235
R-free	0.27170
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	6lgv
Data reduction software	XDS
Data scaling software	Aimless (0.7.4)
Phasing software	PHASER
Refinement software	PHENIX (1.13_2998)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	39.704	39.704	2.470
High resolution limit [Å]	2.428	6.581	2.428
Rmerge	0.101	0.039	0.614
Rmeas	0.112	0.043	0.686
Rpim	0.046	0.019	0.300
Total number of observations	56163	2695	2689
Number of reflections	10859	569	563
<I/σ(I)>	10.5	28.2	2.5
Completeness [%]	96.7	89.2	98.3
Redundancy	5.2	4.7	4.8
CC(1/2)	0.998	0.999	0.829

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	LIPIDIC CUBIC PHASE	7.5	293.15	0.2 M (NH4)2SO4, 0.1 M Tris-HCl pH 7.5, 32% PEG 400