9D3F
Water and chloride as allosteric inhibitors in WNK kinase osmosensing
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 19-ID |
| Synchrotron site | APS |
| Beamline | 19-ID |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2021-10-22 |
| Detector | APEX II CCD |
| Wavelength(s) | 0.9795 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 38.323, 56.812, 65.281 |
| Unit cell angles | 90.00, 95.38, 90.00 |
Refinement procedure
| Resolution | 42.774 - 2.000 |
| Rwork | 0.204 |
| R-free | 0.23570 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.011 |
| RMSD bond angle | 0.284 |
| Data reduction software | HKL-3000 (722) |
| Data scaling software | HKL-3000 (722) |
| Phasing software | MOLREP (8.0.013) |
| Refinement software | REFMAC (5.8.0419) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 42.774 | 2.050 |
| High resolution limit [Å] | 2.000 | 2.000 |
| Number of reflections | 18236 | 900 |
| <I/σ(I)> | 29.8 | |
| Completeness [%] | 96.0 | 93 |
| Redundancy | 7.6 | 7.7 |
| CC(1/2) | 0.760 | 0.550 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 7.4 | 289 | 400mM Potassium formate, 20% PEG3350, crystals soaked in 15% PEG400 |
