8YX5
Crystal Structure of SARS CoV-2 Papain-like Protease PLpro-C111S in Complex with GZNL-P35
This is a non-PDB format compatible entry.
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 | 2023-10-20 |
| Detector | DECTRIS EIGER X 9M |
| Wavelength(s) | 0.97918 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 46.870, 144.970, 60.100 |
| Unit cell angles | 90.00, 99.24, 90.00 |
Refinement procedure
| Resolution | 25.320 - 1.740 |
| R-factor | 0.1716 |
| Rwork | 0.170 |
| R-free | 0.19460 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 7cjm |
| RMSD bond length | 0.013 |
| RMSD bond angle | 1.524 |
| Data reduction software | autoXDS |
| Data scaling software | XDS |
| Phasing software | PHASES |
| Refinement software | PHENIX ((1.20.1_4487: ???)) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 25.320 | 1.802 |
| High resolution limit [Å] | 1.740 | 1.740 |
| Number of reflections | 154756 | 11536 |
| <I/σ(I)> | 15.19 | 1.7 |
| Completeness [%] | 96.0 | |
| Redundancy | 2 | 2 |
| CC(1/2) | 1.000 | 0.933 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 7.6 | 298 | 0.03 M Citric acid, 0.07 M BIS-TRIS propane)/pH 7.6, 20% w/v PEG 3350 |
