3SQQ
CDK2 in complex with inhibitor RC-3-96
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | ROTATING ANODE |
Source details | RIGAKU MICROMAX-007 HF |
Temperature [K] | 93 |
Detector technology | CCD |
Collection date | 2011-04-21 |
Detector | RIGAKU SATURN 944+ |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 53.730, 71.890, 72.630 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 18.810 - 1.850 |
R-factor | 0.204 |
Rwork | 0.204 |
R-free | 0.23600 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1pw2 |
RMSD bond length | 0.011 |
RMSD bond angle | 1.500 |
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 | 1.900 |
High resolution limit [Å] | 1.850 | 1.850 |
Rmerge | 0.054 | 0.335 |
Number of reflections | 24607 | |
<I/σ(I)> | 23.54 | 5.78 |
Completeness [%] | 99.8 | 99.8 |
Redundancy | 6.87 | 6.86 |
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 |