Structure of IDP90922

1.5 Angstrom Crystal Structure of the Salmonella enterica 3-Dehydroquinate Dehydratase (aroD) E86A Mutant

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CSGID target
IDP90922 
PDB Id
4GUF (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

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Ligands

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

Structure information

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Unit cell parameters

Space Group
P 1  
Unit Cell

a=36.77Å, b=45.55Å, c=81.06Å
α=93.90, β=101.41, γ=105.90 
Solvent content
 
Matthews coefficient
 

Refinement

Data for the highest resolution shell is in parentheses.
Resolution range
29.43-1.50Å (1.54-1.50Å)  
Rall(%)
16.8 
Rwork(%)
16.7 (23.8) 
Rfree(%)
19.1 (25.1) 
Num. observed reflections
74584 (5073) 
Num. Rfree reflections
3729 (245) 
Completeness(%)
94.7 (86.5) 

Model parameters

Num Atoms
4089  
Num Waters
548  
Num Hetatoms
553  
Model mean isotropic B factor
21.750Å2  
RMSD bond length
0.010Å  
RMSD bond angle
1.467°  
Filename uploaded
e86a.pdb (uploaded on Sep 03, 2012 4:20 PM)  
Inserted
Sep 03, 2012