6LH0

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

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 21 2
Unit cell lengths	71.912, 96.579, 44.847
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	40.089 - 2.812
R-factor	0.2689
Rwork	0.268
R-free	0.29240
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]	40.089	40.089	2.861
High resolution limit [Å]	2.812	7.617	2.812
Rmerge	0.102	0.031	0.777
Rmeas	0.109	0.034	0.834
Rpim	0.039	0.013	0.299
Total number of observations	59994	2909	2853
Number of reflections	8024	449	384
<I/σ(I)>	13.5	36.6	2.4
Completeness [%]	99.9	99.1	100
Redundancy	7.5	6.5	7.4
CC(1/2)	0.998	0.999	0.855

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, 28% PEG 400