Structure of IDP95825

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

Edit deposit information
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

Ligands

Ligand code Name Ligand type
CL crystallization
ACT crystallization
EDO crystallization
NA crystallization

Structure information

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