Structure of IDP95800

Crystal structure of aldo-keto reductase from Klebsiella pneumoniae in complex with NADPH.

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CSGID target
IDP95800 
PDB Id
6CIA (NCBI MMDB) 
Authors
'J.Lipowska,E.S.Leung,I.G.Shabalin,M.Grabowski,S.C.Almo,K.J.Satchell,A.Joachimiak,K.Lewinski,W.Minor,Center For Structural Genomics Of Infectious Diseases (Csgid)' 
Responsible person
Joanna Lipowska 
Responsible lab
University of Virginia 
Deposition Date
Feb 23, 2018 
Release Date
Mar 07, 2018 

Annotation

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Ligands

Ligand code Name Ligand type
NDP Nicotinamide adenine dinucleotide phosphate biological

Structure information

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Unit cell parameters

Space Group
P 32 2 1  
Unit Cell

a=83.63Å, b=83.63Å, c=72.83Å
α=90.00, β=90.00, γ=120.00 
Solvent content
 
Matthews coefficient
 

Refinement

Data for the highest resolution shell is in parentheses.
Resolution range
50.01-2.30Å (2.36-2.30Å)  
Rall(%)
17.1 
Rwork(%)
16.7 (21.4) 
Rfree(%)
23.0 (26.9) 
Num. observed reflections
12046 (437) 
Num. Rfree reflections
614 (23) 
Completeness(%)
89.9 (44.7) 

Model parameters

Num Atoms
2241  
Num Waters
150  
Num Hetatoms
198  
Model mean isotropic B factor
43.870Å2  
RMSD bond length
0.010Å  
RMSD bond angle
1.363°  
Filename uploaded
hkl_refine_62.pdb_tls (uploaded on Feb 28, 2018 10:27 AM)  
Inserted
Feb 28, 2018