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 |