2W17
CDK2 in complex with the imidazole pyrimidine amide, compound (S)-8b
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Source details | RIGAKU MICROMAX-007 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2005-12-15 |
| Detector | RIGAKU SATURN 92 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 53.542, 71.824, 71.771 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 42.930 - 2.150 |
| R-factor | 0.244 |
| Rwork | 0.242 |
| R-free | 0.30010 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | INTERNAL CDK2 STRUCTURE MODEL |
| RMSD bond length | 0.012 |
| RMSD bond angle | 1.427 |
| Data reduction software | CrystalClear |
| Data scaling software | CrystalClear |
| Phasing software | AMoRE |
| Refinement software | REFMAC (5.2.0005) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.770 | 2.230 |
| High resolution limit [Å] | 2.150 | 2.150 |
| Rmerge | 0.100 | 0.390 |
| Number of reflections | 15575 | |
| <I/σ(I)> | 6 | 2.1 |
| Completeness [%] | 99.7 | 99.9 |
| Redundancy | 3.33 | 3.3 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | 7.5 | 8% PEG 3350, 0.1M HEPES PH 7.5, 0.05M AMMONIUM ACETATE |
