9L6N
PEDV 3CLpro mutant (C144A) in complex with nsp5/6 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 | 55.128, 85.367, 57.910 |
| Unit cell angles | 90.00, 98.94, 90.00 |
Refinement procedure
| Resolution | 36.700 - 2.300 |
| R-factor | 0.1718 |
| Rwork | 0.169 |
| R-free | 0.22410 |
| Structure solution method | SAD |
| RMSD bond length | 0.008 |
| RMSD bond angle | 0.936 |
| Data reduction software | xia2 |
| Data scaling software | DIALS |
| Phasing software | PHASER |
| Refinement software | PHENIX ((1.20.1_4487: ???)) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 45.920 | 2.360 |
| High resolution limit [Å] | 2.300 | 2.300 |
| Rmerge | 0.101 | 0.459 |
| Number of reflections | 23446 | 1686 |
| <I/σ(I)> | 11.8 | |
| Completeness [%] | 99.3 | |
| Redundancy | 6.2 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 5 | 300.15 | 8%v/v Tacsimate PH5.0,20% w/v Polyethylene glycol 3,350 |
