9JUF
PEDV 3CLpro mutant (C144A) in complex with nsp9|10 peptidyl substrate
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SSRF BEAMLINE BL19U1 |
| Synchrotron site | SSRF |
| Beamline | BL19U1 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2024-10-03 |
| Detector | DECTRIS PILATUS3 6M |
| Wavelength(s) | 0.97861 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 57.001, 91.096, 57.944 |
| Unit cell angles | 90.00, 99.98, 90.00 |
Refinement procedure
| Resolution | 48.360 - 1.950 |
| R-factor | 0.198 |
| Rwork | 0.196 |
| R-free | 0.23810 |
| Structure solution method | SAD |
| RMSD bond length | 0.008 |
| RMSD bond angle | 0.954 |
| Data reduction software | AUTOMAR |
| Data scaling software | xia2 |
| Phasing software | PHASER |
| Refinement software | PHENIX ((1.20.1_4487: ???)) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 2.000 |
| High resolution limit [Å] | 1.950 | 1.950 |
| Rmerge | 0.138 | 0.883 |
| Number of reflections | 42157 | 3097 |
| <I/σ(I)> | 14.02 | |
| Completeness [%] | 99.7 | |
| Redundancy | 6.35 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 293 | 0.05 M Citric acid,0.05 M BIS-TRIS propane / pH 5.0)16% w/v Polyethylene glycol 3,350 |
