6RV3

Crystal structure of the human two pore domain potassium ion channel TASK-1 (K2P3.1) in a closed conformation with a bound inhibitor BAY 1000493

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	DIAMOND BEAMLINE I24
Synchrotron site	Diamond
Beamline	I24
Temperature [K]	100
Detector technology	PIXEL
Collection date	2018-10-07
Detector	DECTRIS PILATUS3 6M
Wavelength(s)	0.9686
Spacegroup name	P 2 21 21
Unit cell lengths	45.070, 204.500, 239.320
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	41.310 - 2.900
R-factor	0.235
Rwork	0.235
R-free	0.24200
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4bw5
RMSD bond length	0.008
RMSD bond angle	0.920
Data reduction software	XDS (VERSION Jan 26, 2018)
Data scaling software	XSCALE (VERSION Jan 26, 2018)
Phasing software	PHASER (2.7.17)
Refinement software	BUSTER (2.10.3)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	44.291	3.005
High resolution limit [Å]	2.900	2.900
Rmerge	0.168	0.745
Rmeas	0.194	0.860
Rpim	0.094	0.421
Number of reflections	40478	2024
<I/σ(I)>	7.2	2.5
Completeness [%]	80.0	40
Redundancy	3.9	3.8
CC(1/2)	0.998	0.795

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	8.5	293	0.1 M TRIS pH 8.5, 0.05 M KCl, 24% v/v PEG 400, 3% w/v sucrose