Structure of IDP95081

First Crystal Structure of E.coli Based Recombinant Diphtheria Toxin Mutant CRM197.

Edit deposit information
CSGID target
IDP95081 
PDB Id
5I82 (NCBI MMDB
Authors
G.Minasov,L.Shuvalova,R.P.N.Mishra,A.Goel,I.Dubrovska,W.F.Anderson,Center For Structural Genomics Of Infectious Diseases (Csgid) 
Responsible person
George Minasov 
Responsible lab
Northwestern University 
Deposition Date
Feb 18, 2016 
Release Date
Mar 02, 2016 

Annotation

Ligands

Ligand code Name Ligand type
GOL crystallization
175 3,5-dihydro-5-methylidene-4h-imidazol-4-on

Structure information

Unit cell parameters

Space Group
P 1  
Unit Cell

a=69.21Å, b=69.17Å, c=127.88Å
α=90.09, β=90.01, γ=82.02 
Solvent content
 
Matthews coefficient
 

Refinement

Data for the highest resolution shell is in parentheses.
Resolution range
29.08-2.35Å (2.41-2.35Å)  
Rall(%)
21.0 
Rwork(%)
20.7 (27.2) 
Rfree(%)
25.0 (32.9) 
Num. observed reflections
96279 (7047) 
Num. Rfree reflections
4910 (331) 
Completeness(%)
98.4 (97.7) 

Model parameters

Num Atoms
15730  
Num Waters
351  
Num Hetatoms
374  
Model mean isotropic B factor
66.020Å2  
RMSD bond length
0.007Å  
RMSD bond angle
1.174°  
Filename uploaded
5i82.pdb (uploaded on Jul 26, 2016 3:25 PM)  
Inserted
Jul 26, 2016