Structure of IDP90163

1.95 Angstrom Crystal Structure of of Type I 3-Dehydroquinate Dehydratase (aroD) from Clostridium difficile with Covalent Modified Comenic Acid.

Edit deposit information
CSGID target
IDP90163 
PDB Id
4H3D (NCBI MMDB
Authors
G.Minasov,S.H.Light,L.Shuvalova,M-E.Duban,I.Dubrovska,J.Winsor,L.Papazisi,W.F.Anderson,Center For Structural Genomics Of Infectious Diseases (Csgid) 
Responsible person
George Minasov 
Responsible lab
Northwestern University 
Deposition Date
Sep 13, 2012 
Release Date
Sep 26, 2012 

Annotation

Ligands

Ligand code Name Ligand type
PEG crystallization
SHL modified comenic acid biological
ACT acetate crystallization
175 3,5-dihydro-5-methylidene-4h-imidazol-4-on

Structure information

Unit cell parameters

Space Group
P 1 21 1  
Unit Cell

a=60.27Å, b=138.69Å, c=66.31Å
α=90.00, β=90.01, γ=90.00 
Solvent content
 
Matthews coefficient
 

Refinement

Data for the highest resolution shell is in parentheses.
Resolution range
27.64-1.95Å (2.00-1.95Å)  
Rall(%)
15.8 
Rwork(%)
15.6 (18.7) 
Rfree(%)
19.9 (23.1) 
Num. observed reflections
78860 (5731) 
Num. Rfree reflections
4021 (289) 
Completeness(%)
99.8 (99.1) 

Model parameters

Num Atoms
8409  
Num Waters
817  
Num Hetatoms
930  
Model mean isotropic B factor
24.370Å2  
RMSD bond length
0.013Å  
RMSD bond angle
1.325°  
Filename uploaded
rcsb074967.pdb (uploaded on Sep 17, 2012 5:59 PM)  
Inserted
Sep 17, 2012