Structure of IDP52005

X-ray Structure of SARS-CoV-2 main protease bound to GRL-024-20 at 1.45 A

Edit deposit information
CSGID target
IDP52005 
PDB Id
6XR3 (NCBI MMDB
Authors
Anson, B.J. Ghosh, A.K. Mesecar, A.D. Center for Structural Genomics of Infectious Diseases (CSGID) 
Responsible person
Brandon Anson 
Responsible lab
Purdue University 
Deposition Date
Jul 10, 2020 
Release Date
Aug 19, 2020 

Annotation

Ligands

Ligand code Name Ligand type
V7G unknown biological

Structure information

Unit cell parameters

Space Group
C 1 2 1  
Unit Cell

a=96.18Å, b=82.70Å, c=54.44Å
α=90.00, β=116.99, γ=90.00 
Solvent content
 
Matthews coefficient
 

Refinement

Data for the highest resolution shell is in parentheses.
Resolution range
18.08-1.45Å (0.00-0.00Å)  
Rall(%)
14.5 
Rwork(%)
14.3 (0.0) 
Rfree(%)
18.7 (0.0) 
Num. observed reflections
65149 (0) 
Num. Rfree reflections
2065 (0) 
Completeness(%)
94.0 (0.0) 

Model parameters

Num Atoms
4813  
Num Waters
310  
Num Hetatoms
385  
Model mean isotropic B factor
36.440Å2  
RMSD bond length
0.000Å  
RMSD bond angle
0.000°  
Filename uploaded
6xr3.pdb (uploaded on Oct 28, 2020 5:10 PM)  
Inserted
Oct 28, 2020