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Structure of IDP90922

1.85 Angstrom Crystal Structure of the 3-Dehydroquinate Dehydratase (aroD) from Salmonella typhimurium LT2.

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CSGID target
IDP90922  
PDB Id
3L2I (NCBI MMDB)  
Authors
Minasov, G., Light, S.H., Shuvalova, L., Papazisi, L., Anderson, W.F., Center for Structural Genomics of Infectious Diseases (CSGID)  
Responsible person
George Minasov  
Responsible lab
Northwestern University  
Deposition Date
2009-12-15  
Release Date
2009-12-29  

Annotation

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Ligands

Ligand code Name Ligand type

Structure information

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Unit cell parameters

Space Group
P 21 21 21  
Unit Cell
a=36.92Å, b=76.91Å, c=171.85Å
α=90.00, β=90.00, γ=90.00  
Solvent content
 
Matthews coefficient
 

Refinement

Data for the highest resolution shell is in parentheses.
Resolution range
28.64-1.85Å (1.90-1.85Å)  
Rall
17.0%  
Rwork
16.8% (21.0%)  
Rfree
21.4% (29.1%)  
Num. observed reflections
42787 (3010)  
Num. Rfree reflections
2139 (162)  
Completeness
99.9% (98.6%)  

Model parameters

Num Atoms
4572  
Num Waters
452  
Num Hetatoms
1  
Model mean isotropic B factor
17.92Å2  
RMSD bond length
0.016Å  
RMSD bond angle
1.526°  
RMSD dihedral angle
°  
RMSD improper torsion angle
°  
Filename uploaded
rcsb056750.pdb (uploaded on 2010-01-06 12:53:16-05)