Structure of IDP95825

Crystal Structure of C79A Mutant of Class D beta-lactamase from Clostridium difficile 630

Edit deposit information
CSGID target
IDP95825 
PDB Id
7RL8 (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 23, 2021 
Release Date
Aug 11, 2021 

Annotation

Ligands

Ligand code Name Ligand type
KCX modified residue
PEG crystallization
SO4 crystallization

Structure information

Unit cell parameters

Space Group
P 21 21 21  
Unit Cell

a=86.12Å, b=93.88Å, c=138.35Å
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
29.84-1.95Å (2.00-1.95Å)  
Rall(%)
17.9 
Rwork(%)
17.8 (23.6) 
Rfree(%)
20.7 (26.5) 
Num. observed reflections
82052 (5927) 
Num. Rfree reflections
4020 (287) 
Completeness(%)
99.8 (98.9) 

Model parameters

Num Atoms
8184  
Num Waters
697  
Num Hetatoms
795  
Model mean isotropic B factor
39.830Å2  
RMSD bond length
0.004Å  
RMSD bond angle
1.242°  
Filename uploaded
7rl8.pdb (uploaded on Aug 27, 2021 3:51 PM)  
Inserted
Aug 27, 2021