3E8C
Crystal structures of the kinase domain of PKA in complex with ATP-competitive 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 |
Collection date | 2005-10-01 |
Detector | ADSC QUANTUM 210 |
Wavelength(s) | 1.000 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 82.460, 96.392, 180.036 |
Unit cell angles | 90.00, 102.66, 90.00 |
Refinement procedure
Resolution | 46.930 - 2.200 |
R-factor | 0.26499 |
Rwork | 0.264 |
R-free | 0.28988 |
RMSD bond length | 0.007 |
RMSD bond angle | 1.195 |
Data reduction software | DENZO |
Data scaling software | SCALEPACK |
Phasing software | AMoRE |
Refinement software | REFMAC (5.2.0019) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 50.000 | 2.280 |
High resolution limit [Å] | 2.200 | 2.200 |
Rmerge | 0.079 | 0.600 |
Number of reflections | 137412 | |
Completeness [%] | 98.2 | 97.3 |
Redundancy | 4.3 | 4.2 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION | 273 | 13-17% PEG 3K-20K, 100 mM MES pH 6.5 or acetate 4.6, 1-15% methanol. Seeded, pH 4.5 - 6.5, vapor diffusion, temperature 273K |