8EDH
Identification of a class of WNK isoform-specific inhibitors through high-throughput screening
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 | 2019-03-15 |
| Detector | ADSC QUANTUM 315r |
| Wavelength(s) | 0.97925 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 50.976, 112.473, 66.642 |
| Unit cell angles | 90.00, 100.27, 90.00 |
Refinement procedure
| Resolution | 26.485 - 3.111 |
| Rwork | 0.186 |
| R-free | 0.29110 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 5fpq |
| RMSD bond length | 0.005 |
| RMSD bond angle | 1.391 |
| Data reduction software | HKL-3000 |
| Data scaling software | HKL-3000 |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.8.0352) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 27.800 | 4.800 |
| High resolution limit [Å] | 3.110 | 3.110 |
| Rpim | 0.040 | |
| Number of reflections | 13357 | 674 |
| <I/σ(I)> | 8.4 | |
| Completeness [%] | 86.0 | 98.4 |
| Redundancy | 4.8 | 4.9 |
| CC(1/2) | 0.950 | 0.400 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 8 | 289 | 0.1M Sodium Malonate pH 5.0 and 12% PEG3350 |
