2C5V
Differential Binding Of Inhibitors To Active And Inactive Cdk2 Provides Insights For Drug Design
Replaces: 1OKUExperimental 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 | 74.501, 114.549, 156.994 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 10.000 - 2.900 |
| R-factor | 0.175 |
| Rwork | 0.171 |
| R-free | 0.28200 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1fin |
| RMSD bond length | 0.011 |
| RMSD bond angle | 1.775 |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | AMoRE |
| Refinement software | REFMAC (5.2.0005) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 12.000 | 2.970 |
| High resolution limit [Å] | 2.900 | 2.900 |
| Rmerge | 0.100 | 0.590 |
| Number of reflections | 24322 | |
| <I/σ(I)> | 8.7 | 1.4 |
| Completeness [%] | 84.5 | 86.9 |
| Redundancy | 13.8 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | 7.8 | 22% PEG 3350, 0.1M NA3-CIT, pH 7.80 |
