2W17
CDK2 in complex with the imidazole pyrimidine amide, compound (S)-8b
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | ROTATING ANODE |
Source details | RIGAKU MICROMAX-007 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2005-12-15 |
Detector | RIGAKU SATURN 92 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 53.542, 71.824, 71.771 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 42.930 - 2.150 |
R-factor | 0.244 |
Rwork | 0.242 |
R-free | 0.30010 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | INTERNAL CDK2 STRUCTURE MODEL |
RMSD bond length | 0.012 |
RMSD bond angle | 1.427 |
Data reduction software | CrystalClear |
Data scaling software | CrystalClear |
Phasing software | AMoRE |
Refinement software | REFMAC (5.2.0005) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 50.770 | 2.230 |
High resolution limit [Å] | 2.150 | 2.150 |
Rmerge | 0.100 | 0.390 |
Number of reflections | 15575 | |
<I/σ(I)> | 6 | 2.1 |
Completeness [%] | 99.7 | 99.9 |
Redundancy | 3.33 | 3.3 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | 7.5 | 8% PEG 3350, 0.1M HEPES PH 7.5, 0.05M AMMONIUM ACETATE |