1Y8Y
Crystal structure of human CDK2 complexed with a pyrazolo[1,5-a]pyrimidine inhibitor
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Source details | RIGAKU RUH3R |
| Temperature [K] | 100 |
| Detector technology | IMAGE PLATE |
| Collection date | 2003-05-08 |
| Detector | RIGAKU RAXIS IV++ |
| Wavelength(s) | 1.5418 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 52.944, 71.756, 71.957 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 50.640 - 1.996 |
| R-factor | 0.19404 |
| Rwork | 0.187 |
| R-free | 0.27216 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1b39 |
| RMSD bond length | 0.023 |
| RMSD bond angle | 1.892 |
| Data reduction software | CrystalClear ((MSC/RIGAKU)) |
| Data scaling software | d*TREK |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.1.19) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 1.970 |
| High resolution limit [Å] | 1.900 | 1.900 |
| Rmerge | 0.054 | 0.262 |
| Number of reflections | 22465 | |
| <I/σ(I)> | 11 | 1.3 |
| Completeness [%] | 95.8 | 82.4 |
| Redundancy | 2.5 | 1.73 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 7.2 | 293 | PEG 3350, Hepes, Ammonium acetate, pH 7.2, VAPOR DIFFUSION, HANGING DROP, temperature 293K |
