6K8M
High resolution crystal structure of proteinase K with thiourea
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SEALED TUBE |
| Source details | BRUKER IMUS MICROFOCUS |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2019-03-05 |
| Detector | Bruker PHOTON II |
| Wavelength(s) | 1.54 |
| Spacegroup name | P 43 21 2 |
| Unit cell lengths | 67.842, 67.842, 102.377 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 19.790 - 1.450 |
| R-factor | 0.1688 |
| Rwork | 0.168 |
| R-free | 0.17950 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1pek |
| RMSD bond length | 0.012 |
| RMSD bond angle | 1.747 |
| Data reduction software | PROTEUM PLUS |
| Data scaling software | Aimless |
| Refinement software | REFMAC (5.8.0238) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 19.790 | 1.450 |
| High resolution limit [Å] | 1.450 | 1.450 |
| Rmerge | 0.065 | 0.557 |
| Rmeas | 0.092 | 0.787 |
| Number of reflections | 43099 | 2165 |
| <I/σ(I)> | 12.4 | 1.9 |
| Completeness [%] | 99.9 | 99.5 |
| Redundancy | 1.9 | 1.8 |
| CC(1/2) | 0.990 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 7.2 | 273 | 1.28M ammonium sulfate, 0.1M Tris-HCl, pH 7.2 |
