9OIZ
Co-Structure of Main Protease of SARS-CoV-2 with Compound 11
This is a non-PDB format compatible entry.
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 17-ID |
| Synchrotron site | APS |
| Beamline | 17-ID |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2025-04-05 |
| Detector | DECTRIS EIGER X 9M |
| Wavelength(s) | 1 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 115.474, 54.066, 45.288 |
| Unit cell angles | 90.00, 101.56, 90.00 |
Refinement procedure
| Resolution | 56.560 - 2.460 |
| R-factor | 0.2119 |
| Rwork | 0.209 |
| R-free | 0.26020 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.007 |
| RMSD bond angle | 0.910 |
| Data reduction software | XDS |
| Data scaling software | Aimless |
| Phasing software | PHASER |
| Refinement software | BUSTER (2.11.8) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 56.570 | 2.590 |
| High resolution limit [Å] | 2.457 | 2.460 |
| Rmerge | 0.081 | 1.309 |
| Rmeas | 0.096 | 1.540 |
| Rpim | 0.051 | 0.805 |
| Total number of observations | 5230 | |
| Number of reflections | 10070 | 1450 |
| <I/σ(I)> | 9.3 | 1 |
| Completeness [%] | 99.7 | |
| Redundancy | 3.5 | 3.6 |
| CC(1/2) | 0.998 | 0.469 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 7 | 291 | 25 %w/v PEG 1500 0.1 M MIB pH 7 |
