6V3C

K2P2.1(TREK-1)I110D:Ru360 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	2018-08-18
Detector	DECTRIS EIGER X 16M
Wavelength(s)	1.0332
Spacegroup name	P 21 21 21
Unit cell lengths	67.737, 120.708, 127.274
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	14.980 - 3.510
R-factor	0.3029
Rwork	0.302
R-free	0.32450
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	Outer shell
Low resolution limit [Å]	46.400	3.850
High resolution limit [Å]	3.510	3.510
Number of reflections	12595	530
<I/σ(I)>	10.8
Completeness [%]	100.0
Redundancy	13.3
CC(1/2)	1.000	0.149

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 7-8, 20-25% PEG400