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 |