6WK8

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

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 21-ID-G
Synchrotron site	APS
Beamline	21-ID-G
Temperature [K]	80
Detector technology	CCD
Collection date	2019-11-21
Detector	MARMOSAIC 300 mm CCD
Wavelength(s)	0.9787
Spacegroup name	C 1 2 1
Unit cell lengths	141.819, 50.507, 108.575
Unit cell angles	90.00, 92.18, 90.00

Refinement procedure

Resolution	58.390 - 2.530
R-factor	0.2596
Rwork	0.257
R-free	0.30930
Structure solution method	SAD
RMSD bond length	0.007
RMSD bond angle	1.536
Data reduction software	DIALS
Data scaling software	STARANISO
Phasing software	SHELX
Refinement software	REFMAC (5.8.0258)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	59.000	3.000
High resolution limit [Å]	2.500	2.500
Rmerge	0.132	0.646
Rmeas	0.145	0.723
Rpim	0.057	0.438
Number of reflections	9466	473
<I/σ(I)>	6.4	2.8
Completeness [%]	85.0
Redundancy	7.1
CC(1/2)	0.946	0.807

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		294	100 mM LiNaSO4, 0.1 M Tris pH 8.75, 34% PEG 600