7UOS
Structure of WNK1 inhibitor complex
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | APS BEAMLINE 19-ID |
Synchrotron site | APS |
Beamline | 19-ID |
Temperature [K] | 163 |
Detector technology | CCD |
Collection date | 2020-07-18 |
Detector | APEX II CCD |
Wavelength(s) | 0.97925 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 37.820, 57.532, 65.631 |
Unit cell angles | 90.00, 90.58, 90.00 |
Refinement procedure
Resolution | 37.850 - 2.900 |
R-factor | 0.22942 |
Rwork | 0.222 |
R-free | 0.29464 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 5drb |
RMSD bond length | 0.008 |
RMSD bond angle | 1.777 |
Data reduction software | HKL-3000 |
Data scaling software | HKL-3000 |
Phasing software | MOLREP |
Refinement software | REFMAC (5.8.0238) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 37.850 | 2.900 |
High resolution limit [Å] | 2.900 | 2.900 |
Rpim | 0.060 | |
Number of reflections | 4894 | 4894 |
<I/σ(I)> | 10.4 | |
Completeness [%] | 86.0 | |
Redundancy | 4.6 | |
CC(1/2) | 0.950 | 0.950 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 7.4 | 289 | 20% PEG3350, 200mM Sodium Formate |