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 |