Structure of IDP95825

1.85 Angstrom Resolution Crystal Structure of Class D beta-lactamase from Clostridium difficile 630

Edit deposit information
CSGID target
IDP95825 
PDB Id
6UE2 (NCBI MMDB
Authors
Minasov, G., Shuvalova, L., Dubrovska, I., Rosas-Lemus, M., Jedrzejczak, R., Satchell, K.J.F., Center For Structural Genomics Of Infectious Diseases (Csgid)  
Responsible person
George Minasov 
Responsible lab
Northwestern University 
Deposition Date
Sep 20, 2019 
Release Date
Dec 25, 2019 

Annotation

Ligands

Ligand code Name Ligand type
KCX modified residue
MSE SELENOMETHIONINE modified residue
PGE TRIETHYLENE GLYCOL crystallization
PEG polyethylene glycol crystallization
PPI propanoic acid crystallization
GOL GLYCEROL crystallization

Structure information

Unit cell parameters

Space Group
P 21 21 21  
Unit Cell

a=84.98Å, b=93.20Å, c=137.58Å
α=90.00, β=90.00, γ=90.00 
Solvent content
 
Matthews coefficient
 

Refinement

Data for the highest resolution shell is in parentheses.
Resolution range
29.56-1.85Å (1.90-1.85Å)  
Rall(%)
16.7 
Rwork(%)
16.5 (26.1) 
Rfree(%)
19.7 (26.2) 
Num. observed reflections
93127 (6518) 
Num. Rfree reflections
4656 (316) 
Completeness(%)
99.6 (95.2) 

Model parameters

Num Atoms
8163  
Num Waters
830  
Num Hetatoms
1117  
Model mean isotropic B factor
34.520Å2  
RMSD bond length
0.006Å  
RMSD bond angle
1.428°  
Filename uploaded
D_1000244459_model-annotate_P1.pdb (uploaded on Dec 19, 2019 12:39 PM)  
Inserted
Dec 19, 2019