6WTM
Feline coronavirus drug inhibits the main protease of SARS-CoV-2 and blocks virus replication
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | SSRL BEAMLINE BL12-2 |
Synchrotron site | SSRL |
Beamline | BL12-2 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2020-04-16 |
Detector | DECTRIS PILATUS3 S 6M |
Wavelength(s) | 0.9795 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 44.840, 53.600, 114.870 |
Unit cell angles | 90.00, 101.22, 90.00 |
Refinement procedure
Resolution | 38.490 - 1.850 |
R-factor | 0.2089 |
Rwork | 0.208 |
R-free | 0.25160 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 6y7m |
RMSD bond length | 0.008 |
RMSD bond angle | 1.039 |
Data reduction software | XDS |
Data scaling software | XDS |
Phasing software | PHASER |
Refinement software | PHENIX (1.17.1_3660) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 38.490 | 1.890 |
High resolution limit [Å] | 1.850 | 1.850 |
Number of reflections | 45907 | 88303 |
<I/σ(I)> | 6.42 | |
Completeness [%] | 97.8 | |
Redundancy | 3.44 | |
CC(1/2) | 0.990 | 0.990 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 6.5 | 295 | 0.2 M Sodium sulfate, 0.1 M Bis-Tris propane pH 6.5, 20 % w/v PEG 3350. |