6LEP

Crystal structure of thiosulfate transporter YeeE inactive mutant - C91A

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SPRING-8 BEAMLINE BL32XU
Synchrotron site	SPring-8
Beamline	BL32XU
Temperature [K]	100
Detector technology	PIXEL
Collection date	2018-12-07
Detector	DECTRIS EIGER X 9M
Wavelength(s)	1.0
Spacegroup name	C 2 2 21
Unit cell lengths	73.910, 94.610, 101.510
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	42.878 - 2.600
R-factor	0.2403
Rwork	0.235
R-free	0.28630
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	experiment
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	PHASER
Refinement software	PHENIX (1.16)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	42.878	42.878	2.760
High resolution limit [Å]	2.600	7.800	2.600
Rmerge	0.358	0.080	2.582
Rmeas	0.363	0.080	2.643
Total number of observations	302137
Number of reflections	10320	425	1522
<I/σ(I)>	10.14	35.73	1.43
Completeness [%]	91.4	90	83.8
Redundancy	29.277	30.685	18.783
CC(1/2)	0.981	0.999	0.326

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	LIPIDIC CUBIC PHASE	7	293	Pentaerythritol-propoxylate, MES, NaCl