2C5O
Differential Binding Of Inhibitors To Active And Inactive Cdk2 Provides Insights For Drug Design
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ESRF BEAMLINE ID14-2 |
| Synchrotron site | ESRF |
| Beamline | ID14-2 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2002-11-18 |
| Detector | ADSC CCD |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 74.482, 113.508, 157.084 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 22.000 - 2.100 |
| R-factor | 0.197 |
| Rwork | 0.195 |
| R-free | 0.25600 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1kou |
| RMSD bond length | 0.012 |
| RMSD bond angle | 2.246 |
| Data reduction software | DENZO |
| Data scaling software | SCALA |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.1.24) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 15.000 | 2.150 |
| High resolution limit [Å] | 2.100 | 2.100 |
| Rmerge | 0.100 | 0.410 |
| Number of reflections | 70067 | |
| <I/σ(I)> | 12.3 | 1.8 |
| Completeness [%] | 89.1 | 54 |
| Redundancy | 9.8 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | 7.8 | 22% PEG 3350, 0.1M NA3-CIT, pH 7.80 |
