Structure of IDP90922

1.8 Angstrom Crystal Structure of the Salmonella enterica 3-Dehydroquinate Dehydratase (aroD) K170M Mutant in Complex with Quinate

Edit deposit information
CSGID target
IDP90922 
PDB Id
4IUO (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
Jan 21, 2013 
Release Date
Jan 30, 2013 

Annotation

Ligands

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

Structure information

Unit cell parameters

Space Group
P 21 21 21  
Unit Cell

a=36.91Å, b=72.80Å, c=170.91Å
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
28.51-1.80Å (1.85-1.80Å)  
Rall(%)
18.0 
Rwork(%)
17.8 (24.2) 
Rfree(%)
20.8 (28.4) 
Num. observed reflections
43418 (3058) 
Num. Rfree reflections
2170 (155) 
Completeness(%)
99.2 (95.3) 

Model parameters

Num Atoms
4044  
Num Waters
435  
Num Hetatoms
461  
Model mean isotropic B factor
19.190Å2  
RMSD bond length
0.007Å  
RMSD bond angle
1.256°  
Filename uploaded
IDP90922k170ms_validate.pdb (uploaded on Jan 22, 2013 6:33 PM)  
Inserted
Jan 22, 2013