4KBK
CK1d in complex with (3S)-3-{4-[3-(4-fluorophenyl)-1-methyl-1H-pyrazol-4-yl]pyridin-2-yl}morpholine inhibitor
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 17-ID |
| Synchrotron site | APS |
| Beamline | 17-ID |
| Detector technology | CCD |
| Detector | ADSC QUANTUM 210 |
| Wavelength(s) | 1.0 |
| Spacegroup name | P 1 |
| Unit cell lengths | 49.103, 84.760, 89.447 |
| Unit cell angles | 108.06, 105.85, 93.09 |
Refinement procedure
| Resolution | 17.210 - 2.100 |
| R-factor | 0.1926 |
| Rwork | 0.191 |
| R-free | 0.22500 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.010 |
| RMSD bond angle | 1.010 |
| Refinement software | BUSTER (2.11.5) |
Data quality characteristics
| Overall | |
| Low resolution limit [Å] | 20.000 |
| High resolution limit [Å] | 2.100 |
| Rmerge | 0.069 |
| Number of reflections | 72584 |
| <I/σ(I)> | 12.14 |
| Completeness [%] | 95.6 |
| Redundancy | 2.38 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 |
