Structure of IDP90922

1.50 Angstrom Crystal Structure of the Salmonella enterica 3-Dehydroquinate Dehydratase (aroD) in Complex with Shikimate

Edit deposit information
CSGID target
IDP90922 
PDB Id
4GUJ (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
ZN ZINC ION crystallization
175 3,5-dihydro-5-methylidene-4h-imidazol-4-on biological

Structure information

Unit cell parameters

Space Group
P 1 21 1  
Unit Cell

a=48.62Å, b=74.97Å, c=63.04Å
α=90.00, β=100.49, γ=90.00 
Solvent content
 
Matthews coefficient
 

Refinement

Data for the highest resolution shell is in parentheses.
Resolution range
28.66-1.50Å (1.54-1.50Å)  
Rall(%)
15.7 
Rwork(%)
15.5 (21.5) 
Rfree(%)
18.2 (22.3) 
Num. observed reflections
68926 (4983) 
Num. Rfree reflections
3515 (223) 
Completeness(%)
96.8 (95.0) 

Model parameters

Num Atoms
3921  
Num Waters
420  
Num Hetatoms
450  
Model mean isotropic B factor
20.970Å2  
RMSD bond length
0.009Å  
RMSD bond angle
1.421°  
Filename uploaded
shk.pdb (uploaded on Sep 03, 2012 4:16 PM)  
Inserted
Sep 03, 2012