8VXD
Structure of Casein kinase I isoform delta (CK1d) complexed with inhibitor 7
This is a non-PDB format compatible entry.
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 | 2018-11-07 |
| Detector | DECTRIS EIGER2 X 9M |
| Wavelength(s) | 1.0 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 51.556, 101.921, 66.891 |
| Unit cell angles | 90.00, 102.47, 90.00 |
Refinement procedure
| Resolution | 50.340 - 2.470 |
| R-factor | 0.2666 |
| Rwork | 0.265 |
| R-free | 0.29500 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.011 |
| RMSD bond angle | 1.314 |
| Data reduction software | xia2 |
| Data scaling software | xia2 |
| Phasing software | PHASER |
| Refinement software | PHENIX ((1.20.1_4487: ???)) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.340 | 2.510 |
| High resolution limit [Å] | 2.470 | 2.470 |
| Rmerge | 0.062 | 0.678 |
| Rmeas | 0.075 | 0.804 |
| Rpim | 0.040 | 0.428 |
| Total number of observations | 80884 | 3844 |
| Number of reflections | 24239 | 1116 |
| <I/σ(I)> | 8.8 | 1.3 |
| Completeness [%] | 99.6 | |
| Redundancy | 3.3 | 3.4 |
| CC(1/2) | 0.997 | 0.603 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION | 5.5 | 293 | 12%-20% PEG 10 K, 0.1 M Bis Tris (pH 5.5), 0.1 M Ammonium Acetate |
