5V02
A positive allosteric modulator binding pocket in SK2 ion channels is shared by Riluzole and CyPPA
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 17-ID |
| Synchrotron site | APS |
| Beamline | 17-ID |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2015-11-11 |
| Detector | DECTRIS PILATUS3 6M |
| Wavelength(s) | 1 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 77.762, 66.554, 65.131 |
| Unit cell angles | 90.00, 94.27, 90.00 |
Refinement procedure
| Resolution | 23.020 - 1.780 |
| R-factor | 0.1949 |
| Rwork | 0.194 |
| R-free | 0.21480 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 4gow |
| RMSD bond length | 0.010 |
| RMSD bond angle | 0.990 |
| Data reduction software | XDS |
| Data scaling software | Aimless |
| Phasing software | PHASER |
| Refinement software | BUSTER (2.11.6) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.504 | 1.789 |
| High resolution limit [Å] | 1.780 | 1.780 |
| Rmerge | 0.039 | 0.529 |
| Number of reflections | 31198 | 304 |
| <I/σ(I)> | 16 | 2 |
| Completeness [%] | 98.5 | 98.7 |
| Redundancy | 3.3 | 3.1 |
| CC(1/2) | 0.998 | 0.783 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 295 | ammonia sulfate |
