6KKI

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

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	2018-06-28
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.9791
Spacegroup name	P 21 21 21
Unit cell lengths	69.778, 84.698, 88.188
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	27.360 - 3.064
R-factor	0.2412
Rwork	0.238
R-free	0.27070
Structure solution method	MOLECULAR REPLACEMENT
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	PHASER
Refinement software	PHENIX (1.13_2998)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	30.000	30.000	3.160
High resolution limit [Å]	3.050	6.550	3.050
Rmerge	0.101	0.066	0.597
Rmeas	0.112	0.073	0.673
Rpim	0.046	0.030	0.306
Total number of observations	54555
Number of reflections	10188	1108	986
<I/σ(I)>	4.8
Completeness [%]	99.6	99.1	99.4
Redundancy	5.4	5.8	4.6
CC(1/2)		0.996	0.530

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION	5.6	297	11% PEG 3350, 0.02 M sodium citrate pH 5.6