3RNI
CDK2 in complex with inhibitor RC-3-86
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | ROTATING ANODE |
Source details | RIGAKU MICROMAX-007 HF |
Temperature [K] | 93 |
Detector technology | CCD |
Collection date | 2010-11-28 |
Detector | RIGAKU SATURN 944+ |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 53.540, 71.850, 72.100 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 18.720 - 1.950 |
R-factor | 0.209 |
Rwork | 0.209 |
R-free | 0.25500 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1pw2 |
RMSD bond length | 0.009 |
RMSD bond angle | 1.400 |
Data reduction software | XDS |
Data scaling software | XDS |
Phasing software | CNS (1.2) |
Refinement software | CNS (1.2) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 20.000 | 2.000 |
High resolution limit [Å] | 1.950 | 1.950 |
Rmerge | 0.050 | 0.291 |
Number of reflections | 20830 | |
<I/σ(I)> | 26.09 | 6.79 |
Completeness [%] | 99.9 | 99.4 |
Redundancy | 6.94 | 6.9 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 7.5 | 291 | 5 mg/mL CDK2 protein, 3 mM inhibitor, 15% v/v PEG3350, 50 mM HEPES/NaOH, 50 mM Na/K phosphate, pH 7.5, VAPOR DIFFUSION, HANGING DROP, temperature 291K |