Structure of IDP90922

1.62 Angstrom Crystal Structure of the Salmonella enterica 3-Dehydroquinate Dehydratase (aroD) E86A Mutant in Complex with Dehydroshikimate (Crystal Form #1)

Edit deposit information
CSGID target
IDP90922 
PDB Id
4GUG (NCBI MMDB
Authors
S.H.Light,G.Minasov,M.-E.Duban,L.Shuvalova,K.Kwon,A.Lavie,W.F.Anderson,Center For Structural Genomics Of Infectious Diseases (Csgid) 
Responsible person
Sam Light 
Responsible lab
Northwestern University 
Deposition Date
Aug 29, 2012 
Release Date
Sep 12, 2012 

Annotation

Ligands

Ligand code Name Ligand type
3DS (4s,5r)-4,5-dihydroxy-3-oxocyclohex-1-ene-1-carboxylic acid biological
175 3,5-dihydro-5-methylidene-4h-imidazol-4-on

Structure information

Unit cell parameters

Space Group
P 1 21 1  
Unit Cell

a=45.70Å, b=64.27Å, c=81.05Å
α=90.00, β=93.89, γ=90.00 
Solvent content
 
Matthews coefficient
 

Refinement

Data for the highest resolution shell is in parentheses.
Resolution range
29.86-1.62Å (1.66-1.62Å)  
Rall(%)
17.5 
Rwork(%)
17.3 (30.0) 
Rfree(%)
20.8 (34.2) 
Num. observed reflections
57824 (4078) 
Num. Rfree reflections
2891 (214) 
Completeness(%)
97.0 (93.5) 

Model parameters

Num Atoms
3920  
Num Waters
359  
Num Hetatoms
388  
Model mean isotropic B factor
36.380Å2  
RMSD bond length
0.020Å  
RMSD bond angle
1.971°  
Filename uploaded
e86a1.pdb (uploaded on Sep 03, 2012 4:24 PM)  
Inserted
Sep 03, 2012