3EJ1
CDK2/CyclinA complexed with a pyrazolopyridazine inhibitor
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | APS BEAMLINE 17-ID |
Synchrotron site | APS |
Beamline | 17-ID |
Temperature [K] | 93 |
Detector technology | CCD |
Collection date | 2000-05-28 |
Detector | MAR CCD 165 mm |
Wavelength(s) | 1.0 |
Spacegroup name | P 62 2 2 |
Unit cell lengths | 183.776, 183.776, 214.045 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 160.130 - 3.220 |
R-factor | 0.22099 |
Rwork | 0.219 |
R-free | 0.25887 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1fvv |
RMSD bond length | 0.008 |
RMSD bond angle | 1.112 |
Data reduction software | DENZO |
Data scaling software | SCALEPACK |
Phasing software | CNS |
Refinement software | REFMAC (5.2.0019) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 160.130 | 3.300 |
High resolution limit [Å] | 3.220 | 3.220 |
Rmerge | 0.140 | 0.670 |
Number of reflections | 32959 | |
<I/σ(I)> | 22 | 2.1 |
Completeness [%] | 98.0 | 95 |
Redundancy | 13.9 | 12.2 |
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 |