7V7M
crystal structure of SARS-CoV-2 3CL protease
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Source details | RIGAKU MICROMAX-007 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2021-08-19 |
| Detector | RIGAKU HyPix-6000HE |
| Wavelength(s) | 1.541838 |
| Spacegroup name | I 1 2 1 |
| Unit cell lengths | 44.657, 53.475, 113.534 |
| Unit cell angles | 90.00, 101.18, 90.00 |
Refinement procedure
| Resolution | 13.088 - 2.080 |
| R-factor | 0.2198 |
| Rwork | 0.212 |
| R-free | 0.29230 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 6lze |
| Data reduction software | CrysalisPro |
| Data scaling software | Aimless |
| Phasing software | PHASER |
| Refinement software | PHENIX (1.16_3549) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 13.090 | 2.140 |
| High resolution limit [Å] | 2.080 | 2.080 |
| Rmerge | 0.085 | 0.482 |
| Number of reflections | 15801 | 1298 |
| <I/σ(I)> | 15.7 | |
| Completeness [%] | 99.2 | |
| Redundancy | 6.6 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 6 | 289 | 0.05 Sodium citrate tribasic dihydrate, 0.12 M Potassium chloride, 0.08 M Bis-Tris, 14% PEG 4000 |
