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 |
