Structure of IDP92622

Co-crystal Structure of the Catalytic Domain of the Inosine Monophosphate Dehydrogenase from Cryptosporidium parvum with a Inhibitor N109

Edit deposit information
CSGID target
IDP92622 
PDB Id
4QJ1 (NCBI MMDB
Authors
Y.Kim,M.Makowska-Grzyska,M.Gu,L.Hedstrom,W.F.Anderson,A.Joachimiak,Center For Structural Genomics Of Infectious Diseases (Csgid) 
Responsible person
Youngchang Kim 
Responsible lab
Argonne National Laboratory 
Deposition Date
Jun 03, 2014 
Release Date
Aug 06, 2014 

Annotation

Ligands

Ligand code Name Ligand type
IMP biological
N09 unknown biological
ACY crystallization
EDO crystallization
FMT crystallization

Structure information

Unit cell parameters

Space Group
P 1 21 1  
Unit Cell

a=90.41Å, b=92.34Å, c=91.91Å
α=90.00, β=104.24, γ=90.00 
Solvent content
 
Matthews coefficient
 

Refinement

Data for the highest resolution shell is in parentheses.
Resolution range
39.59-2.42Å (2.46-2.42Å)  
Rall(%)
20.5 
Rwork(%)
20.2 (21.7) 
Rfree(%)
25.7 (30.0) 
Num. observed reflections
52526 (1571) 
Num. Rfree reflections
2684 (82) 
Completeness(%)
88.6 (51.0) 

Model parameters

Num Atoms
10372  
Num Waters
133  
Num Hetatoms
244  
Model mean isotropic B factor
53.230Å2  
RMSD bond length
0.010Å  
RMSD bond angle
1.445°  
RMSD dihedral angle
11.51°
 
Filename uploaded
dep.pdb (uploaded on Jun 04, 2014 8:25 AM)  
Inserted
Jun 04, 2014