2W05
Structure of CDK2 in complex with an imidazolyl pyrimidine, compound 5b
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SRS BEAMLINE PX14.2 |
| Synchrotron site | SRS |
| Beamline | PX14.2 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2001-06-10 |
| Detector | ADSC QUANTUM-4 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 53.143, 70.313, 71.696 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 200.000 - 1.900 |
| Rwork | 0.230 |
| R-free | 0.29280 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | IN-HOUSE CDK2 MODEL |
| RMSD bond length | 0.006 |
| RMSD bond angle | 1.234 |
| Data reduction software | MOSFLM |
| Data scaling software | SCALA |
| Phasing software | AMoRE |
| Refinement software | CNX (2000) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 23.900 | 2.000 |
| High resolution limit [Å] | 1.900 | 1.900 |
| Rmerge | 0.070 | 0.380 |
| Number of reflections | 14259 | |
| <I/σ(I)> | 8 | 2.5 |
| Completeness [%] | 91.0 | 72.3 |
| Redundancy | 2.2 | 2 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | 7.4 | 8% PEG 3350, 0.1M HEPES PH 7.5, 0.05M AMMONIUM ACETATE |
