9J91
Structures and mechanisms of serine protease inhibitors of Trichinella spiralis and Trichinella pseudospiralis
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SSRF BEAMLINE BL17U1 |
| Synchrotron site | SSRF |
| Beamline | BL17U1 |
| Temperature [K] | 80 |
| Detector technology | PIXEL |
| Collection date | 2020-06-18 |
| Detector | DECTRIS PILATUS3 6M |
| Wavelength(s) | 0.97913 |
| Spacegroup name | P 62 2 2 |
| Unit cell lengths | 175.498, 175.498, 63.425 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 29.270 - 2.600 |
| R-factor | 0.2623 |
| Rwork | 0.261 |
| R-free | 0.29250 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.009 |
| RMSD bond angle | 1.228 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | PHENIX |
| Refinement software | PHENIX (1.17.1_3660) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 29.270 | 2.690 |
| High resolution limit [Å] | 2.600 | 2.600 |
| Rmerge | 0.130 | 1.640 |
| Number of reflections | 18284 | 1772 |
| <I/σ(I)> | 20 | |
| Completeness [%] | 99.8 | |
| Redundancy | 19.8 | |
| CC(1/2) | 0.990 | 0.700 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 289.1 | 22% polyethylene glycol 8K, 0.2 M sodium chloride, 0.1 M sodium acetate trihydrate, pH 4.0, 30% w/v D-(+)-Glucose monohydrate |
