1R78
CDK2 complex with a 4-alkynyl oxindole inhibitor
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | NSLS BEAMLINE X8C |
| Synchrotron site | NSLS |
| Beamline | X8C |
| Temperature [K] | 110 |
| Detector technology | CCD |
| Collection date | 1999-10-06 |
| Detector | ADSC QUANTUM 4 |
| Wavelength(s) | 0.979 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 53.880, 71.962, 72.779 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 51.300 - 2.000 |
| R-factor | 0.21999 |
| Rwork | 0.218 |
| R-free | 0.27300 * |
| Structure solution method | rigid body refinement |
| RMSD bond length | 0.010 |
| RMSD bond angle | 1.243 |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Refinement software | REFMAC (5.1.24) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 30.000 | 2.070 |
| High resolution limit [Å] | 2.000 | 2.000 |
| Rmerge | 0.036 | 0.050 |
| Number of reflections | 18512 | |
| Completeness [%] | 93.6 | 69.1 |
| Redundancy | 3.3 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION | 9 | 277 | pH 9, VAPOR DIFFUSION, temperature 277K |
Crystallization Reagents in Literatures
| ID | crystal ID | solution | reagent name | concentration (unit) | details |
| 1 | 1 | drop | protein | 12 (mg/ml) | |
| 2 | 1 | reservoir | PEG3350 | 10 (%) | |
| 3 | 1 | reservoir | CHES | 0.1 (M) | pH9. |
| 4 | 1 | reservoir | beta-mercaptoethanol | 2.5 (%) |
