9L7N
PEDV 3CLpro mutant (C144A) in complex with nsp12/13 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 | 172.053, 172.053, 58.951 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 33.840 - 2.230 |
| R-factor | 0.2203 |
| Rwork | 0.218 |
| R-free | 0.25570 |
| Structure solution method | SAD |
| RMSD bond length | 0.009 |
| RMSD bond angle | 1.078 |
| 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] | 43.030 | 2.290 |
| High resolution limit [Å] | 2.230 | 2.230 |
| Rmerge | 0.140 | 1.535 |
| Number of reflections | 31673 | 2352 |
| <I/σ(I)> | 9.2 | |
| Completeness [%] | 99.8 | |
| Redundancy | 10.1 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 300.15 | 0.2M Lithium citrate tribasic tetrahydrate,20% w/v Polyethylene glycol3,350 |
