Structure of IDP95825

Crystal Structure of Wild Type Class D beta-lactamase from Clostridium difficile 630

Edit deposit information
CSGID target
IDP95825 
PDB Id
6WY4 (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
May 12, 2020 
Release Date
May 27, 2020 

Annotation

Ligands

Ligand code Name Ligand type
KCX modified residue
PEG DI(HYDROXYETHYL)ETHER crystallization
NA crystallization

Structure information

Unit cell parameters

Space Group
P 21 21 21  
Unit Cell

a=85.33Å, b=93.26Å, c=138.05Å
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
29.66-1.80Å (1.85-1.80Å)  
Rall(%)
17.8 
Rwork(%)
17.6 (24.7) 
Rfree(%)
20.9 (25.2) 
Num. observed reflections
102485 (7475) 
Num. Rfree reflections
5226 (389) 
Completeness(%)
100.0 (100.0) 

Model parameters

Num Atoms
8237  
Num Waters
901  
Num Hetatoms
1024  
Model mean isotropic B factor
30.950Å2  
RMSD bond length
0.004Å  
RMSD bond angle
1.234°  
Filename uploaded
6wy4.pdb (uploaded on May 30, 2020 10:53 AM)  
Inserted
May 30, 2020