2I40
Cdk2/Cyclin A complexed with a thiophene carboxamide 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 | 2003-07-14 |
| Detector | ADSC QUANTUM 4 |
| Wavelength(s) | 1.00 |
| Spacegroup name | P 62 2 2 |
| Unit cell lengths | 184.882, 184.882, 213.000 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 160.130 - 2.800 |
| R-factor | 0.1947 |
| Rwork | 0.193 |
| R-free | 0.22176 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1fin |
| RMSD bond length | 0.008 |
| RMSD bond angle | 1.120 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | CNS |
| Refinement software | REFMAC (5.2.0005) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 160.000 | 2.870 |
| High resolution limit [Å] | 2.800 | 2.800 |
| Rmerge | 0.110 | 0.470 |
| Number of reflections | 48311 | |
| <I/σ(I)> | 40 | 3.78 |
| Completeness [%] | 95.4 | 73 |
| Redundancy | 8.4 | 8 |
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 |
