Structure of IDP95825

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

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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

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Ligands

Ligand code Name Ligand type
KCX modified residue
PEG crystallization
NA crystallization

Structure information

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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