9KZS
PEDV 3CLpro mutant (C144A) in complex with nsp10/11 peptite substrate
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SSRF BEAMLINE BL02U1 |
| Synchrotron site | SSRF |
| Beamline | BL02U1 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2024-12-06 |
| Detector | DECTRIS EIGER2 S 9M |
| Wavelength(s) | 0.97918 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 57.026, 92.068, 58.182 |
| Unit cell angles | 90.00, 100.17, 90.00 |
Refinement procedure
| Resolution | 34.300 - 1.880 |
| R-factor | 0.1898 |
| Rwork | 0.189 |
| R-free | 0.21470 |
| Structure solution method | SAD |
| RMSD bond length | 0.008 |
| RMSD bond angle | 1.060 |
| Data reduction software | DIALS |
| Data scaling software | xia2 |
| Phasing software | PHASER |
| Refinement software | PHENIX ((1.20.1_4487: ???)) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 47.900 | 1.930 |
| High resolution limit [Å] | 1.880 | 1.880 |
| Rmerge | 0.049 | 0.260 |
| Number of reflections | 47915 | 3343 |
| <I/σ(I)> | 19 | |
| Completeness [%] | 99.6 | |
| Redundancy | 6.1 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 5 | 300.15 | 0.05M Citric acid,0.05M BIS-TRIS(propane/PH5.0),16%w/v Polythyleneglycol3,350 |
