Structure of IDP52003

The crystal structure of Papain-Like Protease of SARS CoV-2 , C111S mutant, at room temperature

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CSGID target
IDP52003 
PDB Id
6XG3 (NCBI MMDB) 
Authors
Osipiuk, J., Tesar, C., Jedrzejczak, R., Endres, M., Joachimiak, A., Center for Structural Genomics of Infectious Diseases (CSGID) 
Responsible person
Jerzy Osipiuk 
Responsible lab
Argonne National Laboratory 
Deposition Date
Jun 16, 2020 
Release Date
Jun 24, 2020 

Annotation

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Ligands

Ligand code Name Ligand type
ZN zinc biological
PO4 crystallization
CL chloride crystallization

Structure information

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Unit cell parameters

Space Group
P 32 2 1  
Unit Cell

a=82.44Å, b=82.44Å, c=135.71Å
α=90.00, β=90.00, γ=120.00 
Solvent content
 
Matthews coefficient
 

Refinement

Data for the highest resolution shell is in parentheses.
Resolution range
49.23-2.48Å (2.54-2.48Å)  
Rall(%)
15.4 
Rwork(%)
15.1 (29.3) 
Rfree(%)
19.3 (29.6) 
Num. observed reflections
19324 (1207) 
Num. Rfree reflections
1004 (74) 
Completeness(%)
99.0 (86.2) 

Model parameters

Num Atoms
2539  
Num Waters
41  
Num Hetatoms
48  
Model mean isotropic B factor
55.080Å2  
RMSD bond length
0.010Å  
RMSD bond angle
1.578°  
Filename uploaded
6xg3.pdb (uploaded on Aug 17, 2020 10:50 AM)  
Inserted
Aug 17, 2020