9L7B
PEDV 3CLpro mutant (C144A) in complex with nsp13/14 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 | H 3 |
| Unit cell lengths | 174.740, 174.740, 59.630 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 31.950 - 2.310 |
| R-factor | 0.1968 |
| Rwork | 0.193 |
| R-free | 0.24490 |
| Structure solution method | SAD |
| RMSD bond length | 0.008 |
| RMSD bond angle | 0.941 |
| Data reduction software | xia2 |
| Data scaling software | xia2 |
| Phasing software | PHASER |
| Refinement software | PHENIX ((1.20.1_4487: ???)) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 41.280 | 2.370 |
| High resolution limit [Å] | 2.310 | 2.310 |
| Rmerge | 0.167 | 1.652 |
| Number of reflections | 29776 | 2214 |
| <I/σ(I)> | 13.1 | |
| Completeness [%] | 100.0 | |
| Redundancy | 10.5 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 7.5 | 300.15 | 0.2M Lithium sulfate monohydrate,0.1M HEPES PH7.5,25%w/v Polyethlene glycol3,350 |
