5VIB
Crystal structure of Protein Kinase A in complex with the PKI peptide and Aminobenzothiazole based inhibitors
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 17-BM |
| Synchrotron site | APS |
| Beamline | 17-BM |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2008-11-19 |
| Detector | DECTRIS PILATUS 6M |
| Wavelength(s) | 1.000 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 69.857, 72.960, 77.348 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 29.180 - 2.370 |
| R-factor | 0.215 |
| Rwork | 0.212 |
| R-free | 0.27600 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.010 |
| RMSD bond angle | 1.080 |
| Data reduction software | DENZO |
| 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 | 2.410 |
| High resolution limit [Å] | 2.370 | 6.430 | 2.370 |
| Rmerge | 0.098 | 0.076 | 0.412 |
| Number of reflections | 16232 | ||
| <I/σ(I)> | 6.8 | ||
| Completeness [%] | 97.7 | 87.7 | 99.8 |
| Redundancy | 5.7 | 5.1 | 5.7 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION | 6.6 | 277 | 15% methanol |
