8VXF
Structure of Casein kinase I isoform delta (CK1d) complexed with inhibitor 15
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 | 2019-10-29 |
| Detector | DECTRIS EIGER X 9M |
| Wavelength(s) | 1.00 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 51.127, 100.891, 65.958 |
| Unit cell angles | 90.00, 101.85, 90.00 |
Refinement procedure
| Resolution | 44.180 - 2.280 |
| R-factor | 0.2278 |
| Rwork | 0.226 |
| R-free | 0.27070 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.003 |
| RMSD bond angle | 0.515 |
| 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] | 54.380 | 2.320 |
| High resolution limit [Å] | 2.280 | 2.280 |
| Rmerge | 0.094 | 1.097 |
| Rmeas | 0.113 | 1.305 |
| Rpim | 0.062 | 0.701 |
| Total number of observations | 97642 | 4491 |
| Number of reflections | 29731 | 1331 |
| <I/σ(I)> | 5.8 | 1.1 |
| Completeness [%] | 99.4 | |
| Redundancy | 3.3 | 3.4 |
| CC(1/2) | 0.994 | 0.523 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 5.5 | 293 | 12%-20% PEG 10 K, 0.1 M Bis Tris (pH 5.5), 0.1 M Ammonium Acetate |
