6E9L
Crystal structure of Protein Kinase A in complex with the PKI peptide and a pyridinylbenzamide based inhibitor
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | ROTATING ANODE |
Source details | RIGAKU |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2008-01-07 |
Detector | MAR CCD 130 mm |
Wavelength(s) | 1.54178 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 73.085, 74.486, 79.920 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 37.240 - 2.800 |
R-factor | 0.198 |
Rwork | 0.194 |
R-free | 0.27100 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.010 |
RMSD bond angle | 1.160 |
Data scaling software | SCALEPACK |
Phasing software | MOLREP |
Refinement software | BUSTER (2.11.7) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 50.000 | 50.000 | 2.800 |
High resolution limit [Å] | 2.700 | 5.810 | 2.700 |
Rmerge | 0.177 | 0.082 | 0.707 |
Number of reflections | 12483 | 1343 | 1233 |
<I/σ(I)> | 4.6 | ||
Completeness [%] | 98.9 | 97.7 | 100 |
Redundancy | 5.8 | 5.6 | 5.6 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 6.6 | 277 | 5 to 27% Methanol |