2C6I
Crystal structure of the human CDK2 complexed with the triazolopyrimidine inhibitor
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | ROTATING ANODE |
Source details | RIGAKU RUH3R |
Temperature [K] | 100 |
Detector technology | IMAGE PLATE |
Collection date | 2003-04-23 |
Detector | RIGAKU MSC |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 53.578, 71.611, 72.296 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 25.000 - 1.800 |
R-factor | 0.208 |
Rwork | 0.202 |
R-free | 0.27500 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1b39 |
RMSD bond length | 0.018 |
RMSD bond angle | 1.733 |
Data reduction software | CrystalClear |
Data scaling software | d*TREK |
Phasing software | MOLREP |
Refinement software | REFMAC (5.1.24) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 30.000 | 1.860 |
High resolution limit [Å] | 1.800 | 1.800 |
Rmerge | 0.060 | 0.340 |
Number of reflections | 25808 | |
<I/σ(I)> | 9.4 | 1.8 |
Completeness [%] | 97.0 | 76.6 |
Redundancy | 2.92 | 3.35 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 7.2 | PEG3350, HEPES PH7.2, AMMONIUM ACETATE, VAPOR DIFFUSION HANGING DROP, ROOM TEMPERATURE, pH 7.20 |