1Y8Y
Crystal structure of human CDK2 complexed with a pyrazolo[1,5-a]pyrimidine inhibitor
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | ROTATING ANODE |
Source details | RIGAKU RUH3R |
Temperature [K] | 100 |
Detector technology | IMAGE PLATE |
Collection date | 2003-05-08 |
Detector | RIGAKU RAXIS IV++ |
Wavelength(s) | 1.5418 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 52.944, 71.756, 71.957 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 50.640 - 1.996 |
R-factor | 0.19404 |
Rwork | 0.187 |
R-free | 0.27216 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1b39 |
RMSD bond length | 0.023 |
RMSD bond angle | 1.892 |
Data reduction software | CrystalClear ((MSC/RIGAKU)) |
Data scaling software | d*TREK |
Phasing software | MOLREP |
Refinement software | REFMAC (5.1.19) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 50.000 | 1.970 |
High resolution limit [Å] | 1.900 | 1.900 |
Rmerge | 0.054 | 0.262 |
Number of reflections | 22465 | |
<I/σ(I)> | 11 | 1.3 |
Completeness [%] | 95.8 | 82.4 |
Redundancy | 2.5 | 1.73 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 7.2 | 293 | PEG 3350, Hepes, Ammonium acetate, pH 7.2, VAPOR DIFFUSION, HANGING DROP, temperature 293K |