6KKJ

Crystal structure of Drug:Proton Antiporter-1 (DHA1) Family SotB, in the inward open 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	69.227, 89.150, 90.007
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	28.799 - 3.385
R-factor	0.2529
Rwork	0.249
R-free	0.28700
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	6kki
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]	30.000	30.000	3.520
High resolution limit [Å]	3.385	7.290	3.400
Rmerge	0.113	0.085	0.516
Rmeas	0.126	0.094	0.612
Rpim	0.055	0.040	0.322
Number of reflections	8067	897	780
<I/σ(I)>	5.2
Completeness [%]	98.8	99.7	96.8
Redundancy	4.5	5.3	3.2
CC(1/2)		0.993	0.627

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