5WC5
Structural insights into the potency of SK/IK channel positive modulators
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SEALED TUBE |
| Source details | BRUKER D8 QUEST |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2017-02-28 |
| Detector | Bruker PHOTON II |
| Wavelength(s) | 1.3148 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 76.994, 66.015, 65.298 |
| Unit cell angles | 90.00, 93.76, 90.00 |
Refinement procedure
| Resolution | 26.788 - 2.300 |
| R-factor | 0.1978 |
| Rwork | 0.195 |
| R-free | 0.25040 |
| RMSD bond length | 0.008 |
| RMSD bond angle | 1.216 |
| Data reduction software | XPREP |
| Data scaling software | XPREP |
| Phasing software | PHASER |
| Refinement software | PHENIX (1.11.1_2575) |
Data quality characteristics
| Overall | |
| Low resolution limit [Å] | 26.760 |
| High resolution limit [Å] | 2.100 |
| Number of reflections | 18443 |
| <I/σ(I)> | 16.5 |
| Completeness [%] | 97.8 |
| Redundancy | 6 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 5.8 | 293.15 | 0.1 M Sodium citrate tribasic dihydrate 0.5 M Ammonium sulfate 1.5 M Litium sulfate monohydrate |
