2OH0
Crystal structure of Protein Kinase A in complex with Pyridine-Pyrazolopyridine Based Inhibitors
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | APS BEAMLINE 17-ID |
Synchrotron site | APS |
Beamline | 17-ID |
Temperature [K] | 100 |
Detector technology | CCD |
Detector | ADSC QUANTUM 210 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 72.492, 74.854, 80.165 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 21.840 - 2.200 |
Rwork | 0.273 |
R-free | 0.32000 |
Structure solution method | FOURIER SYNTHESIS |
RMSD bond length | 0.008 |
RMSD bond angle | 1.300 |
Data reduction software | HKL-2000 |
Data scaling software | HKL-2000 |
Phasing software | CNS |
Refinement software | CNX (2002) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 50.000 | 2.340 |
High resolution limit [Å] | 2.200 | 2.200 |
Number of reflections | 22828 | |
Completeness [%] | 92.7 | 80.8 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | VAPOR DIFFUSION, HANGING DROP |