2C5N
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 | 74.539, 113.139, 157.216 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 15.000 - 2.100 |
| R-factor | 0.178 |
| Rwork | 0.175 |
| R-free | 0.25900 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1OKU |
| RMSD bond length | 0.012 |
| RMSD bond angle | 1.822 |
| Data reduction software | MOSFLM |
| Data scaling software | SCALA |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.0) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 20.000 | 2.210 |
| High resolution limit [Å] | 2.100 | 2.100 |
| Rmerge | 0.110 | 0.360 |
| Number of reflections | 70168 | |
| <I/σ(I)> | 11.9 | 3.5 |
| Completeness [%] | 93.0 | 87 |
| Redundancy | 2.1 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | 7.8 | 22% PEG 3350, 0.1M NA3-CIT, pH 7.80 |
