8UE2

Structure of TREK-1CG*:ML335

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 23-ID-D
Synchrotron site	APS
Beamline	23-ID-D
Temperature [K]	100
Detector technology	PIXEL
Collection date	2020-11-11
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.9779
Spacegroup name	P 21 21 21
Unit cell lengths	66.929, 119.655, 128.652
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	24.530 - 3.000
R-factor	0.268
Rwork	0.266
R-free	0.29180
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.002
RMSD bond angle	0.562
Data reduction software	XDS
Data scaling software	XDS
Phasing software	PHASER
Refinement software	PHENIX (1.20.1_4487)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	43.240	3.100
High resolution limit [Å]	3.000	3.000
Number of reflections	21343	2100
<I/σ(I)>	10.9
Completeness [%]	99.8
Redundancy	17.1
CC(1/2)	0.998	0.261

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION		277	20-25% PEG4000, 200 mM KCl, 100mM HEPES pH 7.0-7.5, 1mM CdCl2