7TGR
Structure of SARS-CoV-2 main protease in complex with GC376
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 24-ID-C |
| Synchrotron site | APS |
| Beamline | 24-ID-C |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2021-02-02 |
| Detector | DECTRIS EIGER2 S 16M |
| Wavelength(s) | 0.979 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 114.565, 52.939, 45.904 |
| Unit cell angles | 90.00, 102.55, 90.00 |
Refinement procedure
| Resolution | 47.850 - 1.680 |
| R-factor | 0.184 |
| Rwork | 0.182 |
| R-free | 0.22500 |
| Structure solution method | FOURIER SYNTHESIS |
| Starting model (for MR) | 7c8u |
| Data reduction software | XDS |
| Data scaling software | Aimless |
| Phasing software | PHENIX |
| Refinement software | PHENIX (1.20.1_4487) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 47.850 | 1.710 |
| High resolution limit [Å] | 1.680 | 1.680 |
| Rmerge | 0.060 | 1.237 |
| Number of reflections | 29950 | 1550 |
| <I/σ(I)> | 11.2 | |
| Completeness [%] | 97.8 | 96.4 |
| Redundancy | 3.7 | 3.8 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 293 | 0.2 M potassium thiocyanate, 20 % PEG 3350, and 0.1 M Bis-Tris propane buffer pH 6.5 |
