Structure of IDP52003

Crystal Structure of ADP ribose phosphatase of NSP3 from SARS-CoV-2 in complex with MES

Edit deposit information
CSGID target
IDP52003 
PDB Id
6WCF (NCBI MMDB
Authors
Michalska, K., Kim, Y., Jedrzejczak, R., Maltseva, N., Endres, M., Mececar, A., Joachimiak, A., Center for Structural Genomics of Infectious Diseases (CSGID) 
Responsible person
Karolina Michalska 
Responsible lab
Argonne National Laboratory 
Deposition Date
Mar 30, 2020 
Release Date
Apr 15, 2020 

Annotation

Ligands

Ligand code Name Ligand type
MES MES crystallization

Structure information

Unit cell parameters

Space Group
P 1 21 1  
Unit Cell

a=37.17Å, b=33.18Å, c=60.62Å
α=90.00, β=96.11, γ=90.00 
Solvent content
 
Matthews coefficient
 

Refinement

Data for the highest resolution shell is in parentheses.
Resolution range
33.13-1.07Å (1.08-1.07Å)  
Rall(%)
12.7 
Rwork(%)
12.5 (25.0) 
Rfree(%)
15.4 (26.0) 
Num. observed reflections
67478 (2257) 
Num. Rfree reflections
3414 (113) 
Completeness(%)
97.2 (79.4) 

Model parameters

Num Atoms
2862  
Num Waters
196  
Num Hetatoms
247  
Model mean isotropic B factor
16.350Å2  
RMSD bond length
0.012Å  
RMSD bond angle
1.400°  
RMSD dihedral angle
20.5°
 
RMSD improper torsion angle
0.09°
 
Filename uploaded
D_1000248016_model-annotate_P1.pdb (uploaded on Apr 17, 2020 2:43 PM)  
Inserted
Apr 17, 2020