4TWC
2-Benzamido-N-(1H-benzo[d]imidazol-2-yl)thiazole-4- carboxamide derivatives as potent inhibitors of CK1d/e
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ESRF BEAMLINE ID23-1 |
| Synchrotron site | ESRF |
| Beamline | ID23-1 |
| Temperature [K] | 93 |
| Detector technology | CCD |
| Collection date | 2009-03-09 |
| Detector | ADSC QUANTUM 315r |
| Wavelength(s) | 0.976 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 52.040, 134.721, 56.845 |
| Unit cell angles | 90.00, 99.68, 90.00 |
Refinement procedure
| Resolution | 19.730 - 1.700 |
| R-factor | 0.1648 |
| Rwork | 0.163 |
| R-free | 0.20460 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1cki |
| RMSD bond length | 0.012 |
| RMSD bond angle | 1.572 |
| Data reduction software | MOSFLM |
| Data scaling software | SCALA |
| Refinement software | REFMAC (5.8.0073) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 28.870 | 1.790 |
| High resolution limit [Å] | 1.700 | 1.700 |
| Number of reflections | 82702 | |
| <I/σ(I)> | 10.4 | 1.6 |
| Completeness [%] | 97.9 | 99.4 |
| Redundancy | 2.3 | 2.3 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 5.8 | 293 | 0.1 M NaCl, 1.4 M (NH4)2SO4, 0.1 M Bis-Tris, pH 5.8 |
