Structure of IDP52005

The crystal structure of 3CL MainPro of SARS-CoV-2 with C145S mutation

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CSGID target
IDP52005 
PDB Id
6XOA (NCBI MMDB) 
Authors
K.Tan, N.I. Maltseva, L.F. Welk, R.P. Jedrzejczak, A. Joachimiak, Center for Structural Genomics of Infectious Diseases (CSGID)  
Responsible person
Kemin Tan 
Responsible lab
Argonne National Laboratory 
Deposition Date
Jul 06, 2020 
Release Date
 

Annotation

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Ligands

Ligand code Name Ligand type
EDO ethylene diol crystallization
FMT formate crystallization

Structure information

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Unit cell parameters

Space Group
P 1  
Unit Cell

a=62.91Å, b=67.85Å, c=77.89Å
α=77.93, β=89.55, γ=72.90 
Solvent content
 
Matthews coefficient
 

Refinement

Data for the highest resolution shell is in parentheses.
Resolution range
45.75-2.10Å (0.00-0.00Å)  
Rall(%)
20.8 
Rwork(%)
20.6 (0.0) 
Rfree(%)
25.1 (0.0) 
Num. observed reflections
65305 (0) 
Num. Rfree reflections
3167 (0) 
Completeness(%)
89.3 (0.0) 

Model parameters

Num Atoms
9471  
Num Waters
52  
Num Hetatoms
64  
Model mean isotropic B factor
64.100Å2  
RMSD bond length
0.000Å  
RMSD bond angle
0.000°  
Filename uploaded
C145S.pdb (uploaded on Aug 26, 2020 3:21 PM)  
Inserted
Aug 26, 2020