3RAI
CDK2 in complex with inhibitor KVR-1-160
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Source details | RIGAKU MICROMAX-007 HF |
| Temperature [K] | 93 |
| Detector technology | CCD |
| Collection date | 2009-07-22 |
| Detector | RIGAKU SATURN 944+ |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 53.670, 71.510, 72.790 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 18.810 - 1.700 |
| R-factor | 0.206 |
| Rwork | 0.206 |
| R-free | 0.24600 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1pw2 |
| RMSD bond length | 0.009 |
| RMSD bond angle | 1.400 |
| Data reduction software | XDS |
| Data scaling software | XDS |
| Phasing software | CNS (1.2) |
| Refinement software | CNS (1.2) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 20.000 | 1.750 |
| High resolution limit [Å] | 1.700 | 1.700 |
| Rmerge | 0.048 | 0.256 |
| Number of reflections | 30988 | |
| <I/σ(I)> | 20.39 | 5.49 |
| Completeness [%] | 98.4 | 94.3 |
| Redundancy | 5.26 | 4.14 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 7.5 | 291 | 5 mg/mL CDK2 protein, 3 mM inhibitor, 15% v/v PEG3350, 50 mM HEPES/NaOH, 50 mM Na/K phosphate, pH 7.5, VAPOR DIFFUSION, HANGING DROP, temperature 291K |
