9N9T
Crystal structure of Main protease of PEDV in complex with AVI8122
This is a non-PDB format compatible entry.
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SSRL BEAMLINE BL12-1 |
| Synchrotron site | SSRL |
| Beamline | BL12-1 |
| Temperature [K] | 93 |
| Detector technology | PIXEL |
| Collection date | 2024-11-26 |
| Detector | DECTRIS EIGER X 16M |
| Wavelength(s) | 0.979 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 58.175, 87.065, 59.368 |
| Unit cell angles | 90.00, 103.41, 90.00 |
Refinement procedure
| Resolution | 48.120 - 1.500 |
| R-factor | 0.1982 |
| Rwork | 0.198 |
| R-free | 0.20770 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.008 |
| RMSD bond angle | 1.108 |
| Data reduction software | XDS |
| Data scaling software | XDS |
| Phasing software | PHASER |
| Refinement software | PHENIX ((1.20.1_4487: ???)) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 48.120 | 5.940 | 2.120 |
| High resolution limit [Å] | 1.500 | 4.220 | 2.000 |
| Rmerge | 0.075 | 0.042 | 0.378 |
| Rmeas | 0.095 | 0.053 | 0.490 |
| Number of reflections | 90756 | 1651 | 4408 |
| <I/σ(I)> | 5.46 | ||
| Completeness [%] | 98.7 | ||
| Redundancy | 13.5 | ||
| CC(1/2) | 0.996 | 0.995 | 0.795 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 5.1 | 291 | 0.2 M Ammonium citrate dibasic, 20% w/v Polyethylene glycol 3,350, pH 5.1 |
