Structure of IDP97598

Crystal Structure of the Peptidoglycan Binding Domain of the Outer Membrane Protein (OmpA) from Klebsiella pneumoniae with bound D-alanine.

Edit deposit information
CSGID target
IDP97598 
PDB Id
7RJJ (NCBI MMDB
Authors
Minasov, G., Shuvalova, L., Kiryukhina, O., Dubrovska, I., Satchell, K.J.F., Center for Structural Genomics of Infectious Diseases (CSGID) 
Responsible person
George Minasov 
Responsible lab
Northwestern University 
Deposition Date
Jul 21, 2021 
Release Date
Jul 28, 2021 

Annotation

Ligands

Ligand code Name Ligand type
MSE modified residue
DAL biological
CL crystallization

Structure information

Unit cell parameters

Space Group
P 61  
Unit Cell

a=41.89Å, b=41.89Å, c=267.93Å
α=90.00, β=90.00, γ=120.00 
Solvent content
 
Matthews coefficient
 

Refinement

Data for the highest resolution shell is in parentheses.
Resolution range
28.16-1.88Å (1.93-1.88Å)  
Rall(%)
20.2 
Rwork(%)
20.1 (27.4) 
Rfree(%)
22.8 (24.0) 
Num. observed reflections
19986 (588) 
Num. Rfree reflections
939 (26) 
Completeness(%)
93.2 (37.8) 

Model parameters

Num Atoms
1808  
Num Waters
177  
Num Hetatoms
256  
Model mean isotropic B factor
22.830Å2  
RMSD bond length
0.006Å  
RMSD bond angle
1.442°  
Filename uploaded
7rjj.pdb (uploaded on Aug 27, 2021 3:30 PM)  
Inserted
Aug 27, 2021