6V3I

K2P2.1(TREK-1)I110D:RuR bound channel structure

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 23-ID-B
Synchrotron site	APS
Beamline	23-ID-B
Temperature [K]	100
Detector technology	PIXEL
Collection date	2017-12-02
Detector	DECTRIS EIGER X 16M
Wavelength(s)	1.0332
Spacegroup name	P 21 21 21
Unit cell lengths	67.945, 120.303, 127.818
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	15.000 - 3.400
R-factor	0.2778
Rwork	0.276
R-free	0.32780
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4rue
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	PHENIX (1.17.1_3660)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	46.600	46.740	3.670
High resolution limit [Å]	3.390	9.000	3.400
Rmerge	0.090
Number of reflections	15118	905	3053
<I/σ(I)>	9.1
Completeness [%]	99.9	98.8	100
Redundancy	8.8	5.6	6.7
CC(1/2)	0.999	0.999	0.128

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		277	0.1 M KCl, 1-3 mM CdCl2, 0.1 M HEPES pH 7-8, 20-26% PEG400