4TW9
Difluoro-dioxolo-benzoimidazol-benzamides as potent inhibitors of CK1delta and epsilon with nanomolar inhibitory activity on cancer cell proliferation
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Source details | BRUKER AXS MICROSTAR |
| Temperature [K] | 93 |
| Detector technology | IMAGE PLATE |
| Collection date | 2010-07-05 |
| Detector | MARRESEARCH |
| Wavelength(s) | 1.541 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 52.049, 135.707, 57.183 |
| Unit cell angles | 90.00, 99.42, 90.00 |
Refinement procedure
| Resolution | 19.860 - 2.400 |
| R-factor | 0.2099 |
| Rwork | 0.205 |
| R-free | 0.29790 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.013 |
| RMSD bond angle | 1.519 |
| Data scaling software | SCALA |
| Refinement software | REFMAC (5.5.0102) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 19.860 | 2.530 |
| High resolution limit [Å] | 2.400 | 2.400 |
| Number of reflections | 26368 | |
| <I/σ(I)> | 3.8 | 1.2 |
| Completeness [%] | 86.7 | 92.6 |
| Redundancy | 1.7 | 1.6 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 5.5 | 293 | 0.1 M sodium chloride, 1.4 M ammonium sulfate, 0.1 M Bis-Tris |
