4FKU
Crystal structure of the cdk2 in 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 | 2010-07-07 |
| Detector | MARMOSAIC 300 mm CCD |
| Wavelength(s) | 0.97856 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 53.271, 71.741, 72.192 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 21.520 - 1.470 |
| R-factor | 0.165 |
| Rwork | 0.164 |
| R-free | 0.19200 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2r3i |
| RMSD bond length | 0.010 |
| RMSD bond angle | 1.050 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | PHASER |
| Refinement software | BUSTER (2.11.1) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 1.500 |
| High resolution limit [Å] | 1.470 | 1.470 |
| Rmerge | 0.090 | 0.425 |
| Number of reflections | 47718 | |
| <I/σ(I)> | 8.5 | |
| Completeness [%] | 99.8 | 97.7 |
| Redundancy | 7.1 | 5.4 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 7.8 | 293.15 | 15-20% PEG3350, 0.2M AMMONIUM ACETATE, 0.1M HEPES PH 7.8, VAPOR DIFFUSION, SITTING DROP, TEMPERATURE 293.15K |
