3PJ8
Structure of CDK2 in complex with a Pyrazolo[4,3-d]pyrimidine Bioisostere of Roscovitine.
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Source details | RIGAKU MICROMAX-007 HF |
| Temperature [K] | 100 |
| Detector technology | IMAGE PLATE |
| Collection date | 2009-05-27 |
| Detector | MAR scanner 345 mm plate |
| Wavelength(s) | 1.5418 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 54.350, 71.890, 72.480 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 21.100 - 1.960 |
| R-factor | 0.2057 |
| Rwork | 0.202 |
| R-free | 0.27330 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.006 |
| RMSD bond angle | 1.035 |
| Data reduction software | MOSFLM |
| Data scaling software | SCALA |
| Phasing software | PHASER |
| Refinement software | PHENIX ((phenix.refine: 1.6.2_432)) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 21.100 | 2.070 |
| High resolution limit [Å] | 1.960 | 1.960 |
| Rmerge | 0.063 | 0.242 |
| Number of reflections | 18832 | |
| <I/σ(I)> | 17.7 | 7 |
| Completeness [%] | 89.6 | 99.9 |
| Redundancy | 6.7 | 6.5 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 8 | 290 | PEG 3350, Na-HEPES, pH 8, VAPOR DIFFUSION, HANGING DROP, temperature 290K |
