6WK9

Crystal structure of Gdx-Clo from Small Multidrug Resistance family of transporters in complex with octylguanidinium

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 21-ID-D
Synchrotron site	APS
Beamline	21-ID-D
Temperature [K]	80
Detector technology	CCD
Collection date	2019-12-16
Detector	MARMOSAIC 300 mm CCD
Wavelength(s)	0.9183
Spacegroup name	P 1
Unit cell lengths	51.042, 75.828, 109.123
Unit cell angles	92.54, 90.04, 109.63

Refinement procedure

Resolution	33.010 - 2.320
R-factor	0.2478
Rwork	0.246
R-free	0.28590
Structure solution method	SAD
Data reduction software	STARANISO
Data scaling software	DIALS
Phasing software	SHELX
Refinement software	PHENIX (1.17.1_3660)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	109.000	2.700
High resolution limit [Å]	2.300	2.300
Rmerge	0.074	0.380
Rmeas	0.088	0.442
Rpim	0.044	0.225
Number of reflections	25091	1255
<I/σ(I)>	9.2
Completeness [%]	85.0
Redundancy	3.8
CC(1/2)	0.987	0.913

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7.5	294	0.1 M calcium acetate, 0.1 M Hepes pH 7.5, 33% PEG 600