2BTS
STRUCTURE OF CDK2 COMPLEXED WITH PNU-230032
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ELETTRA BEAMLINE 5.2R |
| Synchrotron site | ELETTRA |
| Beamline | 5.2R |
| Temperature [K] | 100 |
| Detector technology | IMAGE PLATE |
| Detector | MARRESEARCH |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 54.231, 72.209, 73.271 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 20.300 - 1.990 |
| R-factor | 0.216 |
| Rwork | 0.214 |
| R-free | 0.26100 |
| Structure solution method | OTHER |
| RMSD bond length | 0.016 |
| RMSD bond angle | 1.571 |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Refinement software | REFMAC (5.1.24) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 20.000 | 2.100 |
| High resolution limit [Å] | 2.000 | 2.000 |
| Rmerge | 0.040 | 0.270 |
| Number of reflections | 19633 | |
| <I/σ(I)> | 19.3 | 4 |
| Completeness [%] | 96.6 | 90.5 |
| Redundancy | 3.5 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | 7.4 | 10 PERCENT PEG4000,50 MM AMMONIUN ACETATE, 50 MM HEPES PH 7 |
