5JQ5
Crystal structure of CDK2 in complex with inhibitor ICEC0942
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Source details | RIGAKU MICROMAX-007 HF |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2011-02-09 |
| Detector | RIGAKU SATURN 944+ |
| Wavelength(s) | 1.54187 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 53.650, 70.770, 72.270 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 50.560 - 1.940 |
| R-factor | 0.18416 |
| Rwork | 0.181 |
| R-free | 0.24104 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3ns9 |
| RMSD bond length | 0.023 |
| RMSD bond angle | 2.013 |
| Data reduction software | iMOSFLM |
| Data scaling software | SCALEPACK |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.5.0109) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.560 | 2.050 |
| High resolution limit [Å] | 1.940 | 1.940 |
| Rmerge | 0.027 | 0.074 |
| Number of reflections | 20059 | |
| <I/σ(I)> | 21 | 9.2 |
| Completeness [%] | 96.3 | 88.3 |
| Redundancy | 3.2 | 2.8 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 7.8 | 277 | 0.1M AMMONIUM ACETATE, PH 7.8, 6% PEG 3350 |
