1OIT
Imidazopyridines: a potent and selective class of Cyclin-dependent Kinase inhibitors identified through Structure-based hybridisation
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SRS BEAMLINE PX9.6 |
| Synchrotron site | SRS |
| Beamline | PX9.6 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 1999-09-15 |
| Detector | ADSC CCD |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 53.466, 72.239, 72.227 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 51.300 - 1.600 |
| R-factor | 0.22661 |
| Rwork | 0.226 |
| R-free | 0.25500 * |
| Structure solution method | MOLECULAR REPLACEMENT |
| Data reduction software | MOSFLM |
| Data scaling software | SCALA |
| Phasing software | AMoRE |
| Refinement software | REFMAC |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 51.300 | 1.690 |
| High resolution limit [Å] | 1.600 | 1.600 |
| Rmerge | 0.035 * | 0.578 |
| Total number of observations | 179548 * | |
| Number of reflections | 33885 | |
| <I/σ(I)> | 17.8 | 1.5 |
| Completeness [%] | 80.7 | 38.8 |
| Redundancy | 2.1 | 1.6 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | Vapor diffusion, sitting drop * | 7.4 * | 20 * | Lawrie, A.M., (1997) Nature Struct. Biol., 4, 796. * |
Crystallization Reagents in Literatures
| ID | crystal ID | solution | reagent name | concentration (unit) | details |
| 1 | 1 | drop | protein | 10 (mg/ml) | |
| 2 | 1 | drop | 15 (mM) | ||
| 3 | 1 | drop | HEPES | 10 (mM) | pH7.4 |
| 4 | 1 | reservoir | 50 (mM) | ||
| 5 | 1 | reservoir | PEG4000 | 10 (%) | |
| 6 | 1 | reservoir | HEPES | 0.1 (M) | pH7.4 |
