Structure of IDP90922

1.8 Angstrom Crystal Structure of the 3-Dehydroquinate Dehydratase (aroD) from Salmonella typhimurium LT2 with Nickel Bound at Active Site

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CSGID target
IDP90922 
PDB Id
4GFS (NCBI MMDB) 
Authors
S.H.Light,G.Minasov,S.N.Krishna,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 03, 2012 
Release Date
Aug 15, 2012 

Annotation

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Ligands

Ligand code Name Ligand type
175 3,5-dihydro-5-methylidene-4h-imidazol-4-on biological
SIN succinic acid crystallization

Structure information

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Unit cell parameters

Space Group
P 1 21 1  
Unit Cell

a=48.68Å, b=74.47Å, c=63.57Å
α=90.00, β=100.17, γ=90.00 
Solvent content
 
Matthews coefficient
 

Refinement

Data for the highest resolution shell is in parentheses.
Resolution range
29.40-1.80Å (1.85-1.80Å)  
Rall(%)
20.1 
Rwork(%)
19.9 (34.6) 
Rfree(%)
24.9 (34.6) 
Num. observed reflections
40045 (2574) 
Num. Rfree reflections
2042 (124) 
Completeness(%)
96.8 (85.4) 

Model parameters

Num Atoms
3876  
Num Waters
193  
Num Hetatoms
208  
Model mean isotropic B factor
39.790Å2  
RMSD bond length
0.015Å  
RMSD bond angle
1.763°  
Filename uploaded
idp90922pha_validate-final.pdb (uploaded on Aug 04, 2012 4:03 PM)  
Inserted
Aug 04, 2012