4KBA
CK1d in complex with 9-[3-(4-fluorophenyl)-1-methyl-1H-pyrazol-4-yl]-2,3,4,5-tetrahydropyrido[2,3-f][1,4]oxazepine 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 | 48.689, 83.964, 89.290 |
| Unit cell angles | 108.00, 105.71, 93.00 |
Refinement procedure
| Resolution | 19.960 - 1.980 |
| R-factor | 0.2099 |
| Rwork | 0.208 |
| R-free | 0.23720 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.010 |
| RMSD bond angle | 1.030 |
| Refinement software | BUSTER (2.11.2) |
Data quality characteristics
| Overall | |
| Low resolution limit [Å] | 80.950 |
| High resolution limit [Å] | 1.980 |
| Rmerge | 0.083 |
| Number of reflections | 85686 |
| <I/σ(I)> | 6.9 |
| Completeness [%] | 96.4 |
| Redundancy | 2 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 |
