7LCQ
N-terminal finger stabilizes feline drug GC376 in coronavirus 3CL protease
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) | 0.97946 |
Spacegroup name | C 1 2 1 |
Unit cell lengths | 108.270, 82.050, 53.820 |
Unit cell angles | 90.00, 104.12, 90.00 |
Refinement procedure
Resolution | 33.190 - 2.150 |
R-factor | 0.1967 |
Rwork | 0.196 |
R-free | 0.22320 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 2q6g |
RMSD bond length | 0.016 |
RMSD bond angle | 1.749 |
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] | 33.190 | 33.190 |
High resolution limit [Å] | 2.150 | 2.150 |
Number of reflections | 24292 | 2322 |
<I/σ(I)> | 14.77 | |
Completeness [%] | 96.9 | |
Redundancy | 4.5 | |
CC(1/2) | 0.999 | 0.607 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION | 6 | 295 | 7% PEG 8000, 1 mM MES pH 6.0, 1mM DTT, 3% ethylene glycol and 3% DMSO |