7SMV
Crystallization of feline coronavirus Mpro with GC376 reveals mechanism of inhibition
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | CLSI BEAMLINE 08B1-1 |
Synchrotron site | CLSI |
Beamline | 08B1-1 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2021-02-13 |
Detector | DECTRIS PILATUS3 6M |
Wavelength(s) | 0.97950 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 67.800, 77.420, 111.750 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 45.310 - 1.930 |
R-factor | 0.1935 |
Rwork | 0.191 |
R-free | 0.24490 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 6wtm |
RMSD bond length | 0.018 |
RMSD bond angle | 2.160 |
Data reduction software | XDS |
Data scaling software | XDS |
Phasing software | PHENIX |
Refinement software | PHENIX (1.19.2_4158) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 45.310 | 1.999 |
High resolution limit [Å] | 1.930 | 1.930 |
Number of reflections | 44939 | 4441 |
<I/σ(I)> | 18.52 | |
Completeness [%] | 99.9 | |
Redundancy | 13.15 | |
CC(1/2) | 0.999 | 0.388 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 293 | 2.0 M ammonium sulfate, 0.1 M Bis-Tris, pH 5.5 |