6RV4

Crystal structure of the human two pore domain potassium ion channel TASK-1 (K2P3.1) in a closed conformation with a bound inhibitor BAY 2341237

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	45.100, 201.330, 238.570
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	41.160 - 3.100
R-factor	0.251
Rwork	0.250
R-free	0.25600
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4bw5
RMSD bond length	0.008
RMSD bond angle	0.900
Data reduction software	XDS (VERSION Jan 26, 2018)
Data scaling software	XDS (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]	43.116	3.232
High resolution limit [Å]	3.099	3.099
Rmerge	0.187	0.606
Rmeas	0.219	0.702
Rpim	0.153	0.348
Number of reflections	33101	1654
<I/σ(I)>	6.6	2.7
Completeness [%]	80.9	34.8
Redundancy	3.5	3.7
CC(1/2)	0.998	0.792

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, 31% v/v PEG400, 3% w/v sucrose