Structure of IDP95825

Crystal Structure of K83A Mutant of Class D beta-lactamase from Clostridium difficile 630

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CSGID target
IDP95825 
PDB Id
7RLR (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
Jul 26, 2021 
Release Date
Aug 11, 2021 

Annotation

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Ligands

Ligand code Name Ligand type
CL chloride crystallization
ACT crystallization
EDO ethylene diol crystallization
NA crystallization

Structure information

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Unit cell parameters

Space Group
P 21 21 21  
Unit Cell

a=85.53Å, b=93.62Å, c=138.07Å
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
29.71-1.88Å (1.93-1.88Å)  
Rall(%)
17.0 
Rwork(%)
16.8 (22.8) 
Rfree(%)
19.8 (26.1) 
Num. observed reflections
90410 (6449) 
Num. Rfree reflections
4430 (317) 
Completeness(%)
99.8 (97.9) 

Model parameters

Num Atoms
8269  
Num Waters
854  
Num Hetatoms
919  
Model mean isotropic B factor
33.130Å2  
RMSD bond length
0.005Å  
RMSD bond angle
1.261°  
Filename uploaded
7rlr.pdb (uploaded on Aug 27, 2021 3:47 PM)  
Inserted
Aug 27, 2021