6KKK

Crystal structure of Drug:Proton Antiporter-1 (DHA1) Family SotB, in the inward open conformation (H115A mutant)

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRF BEAMLINE BL17U
Synchrotron site	SSRF
Beamline	BL17U
Temperature [K]	100
Detector technology	PIXEL
Collection date	2019-04-17
Detector	DECTRIS EIGER X 16M
Wavelength(s)	0.9793
Spacegroup name	C 1 2 1
Unit cell lengths	261.618, 61.822, 122.463
Unit cell angles	90.00, 93.42, 90.00

Refinement procedure

Resolution	47.176 - 3.500
R-factor	0.234
Rwork	0.231
R-free	0.26740
Structure solution method	MOLECULAR REPLACEMENT
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	PHASER
Refinement software	PHENIX (1.14_3260)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000	50.000	3.630
High resolution limit [Å]	3.485	7.530	3.500
Rmerge	0.185	0.058	0.604
Rmeas	0.210	0.065	0.703
Rpim	0.098	0.029	0.352
Number of reflections	25106	2630	2466
<I/σ(I)>	4.2
Completeness [%]	98.9	99.3	97.9
Redundancy	4.4	5.2	3.7
CC(1/2)		0.995	0.450

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	5	297	30% PEG 400, 0.1 M Sodium chloride, 0.1 M Lithium sulfate, 0.1 M Sodium citrate tribasic dihydrate pH 5