3E8E
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 | 82.578, 95.848, 179.097 |
Unit cell angles | 90.00, 102.53, 90.00 |
Refinement procedure
Resolution | 42.030 - 2.000 |
R-factor | 0.24492 |
Rwork | 0.243 |
R-free | 0.27940 |
RMSD bond length | 0.007 |
RMSD bond angle | 1.234 |
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] | 42.030 | 1.780 |
High resolution limit [Å] | 1.720 | 1.720 |
Rmerge | 0.090 | 0.820 |
Number of reflections | 211201 | |
Completeness [%] | 73.7 | 17.3 |
Redundancy | 3.5 | 2.1 |
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 |