8K1R

YeeE(TsuA)-YeeD(TsuB) complex for thiosulfate uptake

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	2023-06-08
Detector	DECTRIS EIGER X 9M
Wavelength(s)	1.0
Spacegroup name	P 21 2 21
Unit cell lengths	73.580, 101.750, 182.760
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	49.930 - 2.600
R-factor	0.208
Rwork	0.206
R-free	0.25340
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.008
RMSD bond angle	1.161
Data reduction software	XDS
Data scaling software	XDS
Phasing software	MOLREP
Refinement software	PHENIX (1.20.1_4487)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	49.930	2.693
High resolution limit [Å]	2.600	2.600
Rmerge	0.988	5.227
Rmeas	0.989	5.236
Rpim	0.048	0.271
Number of reflections	42977	4206
<I/σ(I)>	15.25	2.1
Completeness [%]	99.5	99.32
Redundancy	321.2	297.1
CC(1/2)	0.996	0.861

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	LIPIDIC CUBIC PHASE		293	0.35 M Ammonium formate, 0.1M Tris-HCl pH 8.0-9.0, 26-36% 1,4- Butandiol