4FX3
Crystal Structure of the CDK2/Cyclin A complex with oxindole inhibitor
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 21-ID-G |
| Synchrotron site | APS |
| Beamline | 21-ID-G |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2011-10-13 |
| Detector | MARMOSAIC 300 mm CCD |
| Wavelength(s) | 0.97856 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 70.661, 163.623, 72.609 |
| Unit cell angles | 90.00, 106.78, 90.00 |
Refinement procedure
| Resolution | 42.910 - 2.750 |
| R-factor | 0.1924 |
| Rwork | 0.190 |
| R-free | 0.23960 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1fin |
| RMSD bond length | 0.011 |
| RMSD bond angle | 1.130 |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | PHASER |
| Refinement software | BUSTER-TNT (BUSTER 2.11.1) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 50.000 | 50.000 | 2.800 |
| High resolution limit [Å] | 2.750 | 7.460 | 2.750 |
| Rmerge | 0.118 | 0.061 | 0.465 |
| Number of reflections | 40559 | ||
| <I/σ(I)> | 5.2 | ||
| Completeness [%] | 99.5 | 98.8 | 99.4 |
| Redundancy | 3.5 | 3.4 | 3.6 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 7.5 | 293.15 | 22% polyacrylic acid 5100, 0.1M HEPES, 0.02M MgCl2, vapor diffusion, sitting drop, temperature 293.15K, pH 7.5, VAPOR DIFFUSION, SITTING DROP |
