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 |