6KKL

Crystal structure of Drug:Proton Antiporter-1 (DHA1) Family SotB, in the inward conformation (H115N mutant)

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRF BEAMLINE BL19U1
Synchrotron site	SSRF
Beamline	BL19U1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2018-12-16
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.9793
Spacegroup name	P 21 21 21
Unit cell lengths	67.408, 83.616, 89.937
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	41.808 - 2.654
R-factor	0.243
Rwork	0.241
R-free	0.26220
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.011
RMSD bond angle	1.086
Data reduction software	XDS
Data scaling software	Aimless (0.5.21)
Phasing software	PHASER
Refinement software	PHENIX (1.11.1_2575)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	45.330	45.330	2.780
High resolution limit [Å]	2.650	8.800	2.650
Rmerge	0.046	0.020	0.726
Rmeas	0.050	0.022	0.790
Rpim	0.020	0.009	0.310
Total number of observations	97390	2589	12562
Number of reflections	15274	476	1980
<I/σ(I)>	21.3	72.3	2.7
Completeness [%]	99.9	98.4	99.7
Redundancy	6.4	5.4	6.3
CC(1/2)	0.999	0.999	0.850

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7.5	297	12% PEG 4000, 0.1 M Hepes pH 7.5