3EID
CDK2/CyclinA complexed with a pyrazolopyridazine inhibitor
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | ROTATING ANODE |
Source details | RIGAKU RU300 |
Detector technology | IMAGE PLATE |
Collection date | 2001-08-14 |
Detector | RIGAKU RAXIS IV |
Wavelength(s) | 1.54 |
Spacegroup name | P 62 2 2 |
Unit cell lengths | 184.506, 184.506, 213.302 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 19.990 - 3.150 |
R-factor | 0.20702 |
Rwork | 0.204 |
R-free | 0.26071 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1fvv |
RMSD bond length | 0.007 |
RMSD bond angle | 1.049 |
Data reduction software | HKL-2000 |
Data scaling software | SCALEPACK |
Phasing software | CNS |
Refinement software | REFMAC (5.2.0019) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 19.990 | 3.230 |
High resolution limit [Å] | 3.150 | 3.150 |
Rmerge | 0.090 | 0.510 |
Number of reflections | 31913 | |
<I/σ(I)> | 21 | 3.8 |
Completeness [%] | 89.2 | 91 |
Redundancy | 4.9 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 6.7 | 277 | 1.5 M sodium acetate, 100 mM sodium cacodylate, pH 6.7, VAPOR DIFFUSION, HANGING DROP, temperature 277K |