1P7W
Crystal structure of the complex of Proteinase K with a designed heptapeptide inhibitor Pro-Ala-Pro-Phe-Ala-Ser-Ala at atomic resolution
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | EMBL/DESY, HAMBURG BEAMLINE X11 |
| Synchrotron site | EMBL/DESY, HAMBURG |
| Beamline | X11 |
| Detector technology | IMAGE PLATE |
| Collection date | 2000-10-10 |
| Detector | MARRESEARCH |
| Wavelength(s) | 0.91 |
| Spacegroup name | P 43 21 2 |
| Unit cell lengths | 67.835, 67.835, 101.563 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 20.000 - 1.020 |
| R-factor | 0.1291 |
| Rwork | 0.129 |
| R-free | 0.14162 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1ic6 |
| RMSD bond length | 0.009 |
| RMSD bond angle | 1.482 |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | AMoRE |
| Refinement software | REFMAC (5.1.24) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 20.000 | 1.060 |
| High resolution limit [Å] | 1.020 | 1.020 |
| Number of reflections | 119205 | |
| <I/σ(I)> | 24.4 | 5.58 |
| Completeness [%] | 99.0 | 95 |
| Redundancy | 15.8 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | microgravity with APCF reactors | 6.5 | 295 | Tris HCl, CaCl2, NaNO3, pH 6.5, microgravity with APCF reactors, temperature 295K |
