3EJ1
CDK2/CyclinA complexed with a pyrazolopyridazine inhibitor
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 17-ID |
| Synchrotron site | APS |
| Beamline | 17-ID |
| Temperature [K] | 93 |
| Detector technology | CCD |
| Collection date | 2000-05-28 |
| Detector | MAR CCD 165 mm |
| Wavelength(s) | 1.0 |
| Spacegroup name | P 62 2 2 |
| Unit cell lengths | 183.776, 183.776, 214.045 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 160.130 - 3.220 |
| R-factor | 0.22099 |
| Rwork | 0.219 |
| R-free | 0.25887 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1fvv |
| RMSD bond length | 0.008 |
| RMSD bond angle | 1.112 |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | CNS |
| Refinement software | REFMAC (5.2.0019) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 160.130 | 3.300 |
| High resolution limit [Å] | 3.220 | 3.220 |
| Rmerge | 0.140 | 0.670 |
| Number of reflections | 32959 | |
| <I/σ(I)> | 22 | 2.1 |
| Completeness [%] | 98.0 | 95 |
| Redundancy | 13.9 | 12.2 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 6.7 | 277 | 1.5 M sodium acetate, 100 mM sodium cacodylate, pH 6.7, VAPOR DIFFUSION, HANGING DROP, temperature 277K |
