7JVZ
SARS CoV-2 MAIN PROTEASE 3CLpro, ROOM TEMPERATURE, DAMAGE FREE XFEL MONOCLINIC STRUCTURE
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | FREE ELECTRON LASER |
| Source details | SLAC LCLS BEAMLINE MFX |
| Synchrotron site | SLAC LCLS |
| Beamline | MFX |
| Temperature [K] | 293 |
| Detector technology | PIXEL |
| Collection date | 2020-08-22 |
| Detector | SLAC ePix10k |
| Wavelength(s) | 1.26 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 117.600, 55.400, 45.600 |
| Unit cell angles | 90.00, 100.50, 90.00 |
Refinement procedure
| Resolution | 32.670 - 2.500 |
| R-factor | 0.17451 |
| Rwork | 0.172 |
| R-free | 0.21719 |
| Structure solution method | FOURIER SYNTHESIS |
| Starting model (for MR) | 6y2e |
| RMSD bond length | 0.009 |
| RMSD bond angle | 1.752 |
| Data reduction software | CrystFEL |
| Data scaling software | CrystFEL |
| Refinement software | REFMAC (5.8.0238) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 33.000 | 2.300 |
| High resolution limit [Å] | 2.200 | 2.200 |
| Number of reflections | 9428 | 505 |
| <I/σ(I)> | 5 | |
| Completeness [%] | 100.0 | |
| Redundancy | 51 | |
| CC(1/2) | 0.940 | 0.180 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | BATCH MODE | 6.5 | 293 | 12.5 % PEG 3350, 100 mmol/L bistris |
