Structure of IDP96847

2.25 Angstrom Resolution Crystal Structure of 6-phospho-alpha-glucosidase from Klebsiella pneumoniae in Complex with NAD.

Edit deposit information
CSGID target
IDP96847 
PDB Id
6DUX (NCBI MMDB
Authors
'G.Minasov,L.Shuvalova,O.Kiryukhina,M.Endres,K.J.F.Satchell,A.Joachimiak,Center For Structural Genomics Of Infectious Diseases (Csgid)' 
Responsible person
George Minasov 
Responsible lab
Northwestern University 
Deposition Date
Jun 22, 2018 
Release Date
Jul 04, 2018 

Annotation

Ligands

Ligand code Name Ligand type
MSE modified residue
NAD biological
LMR (2s)-2-hydroxybutanedioic acid crystallization
ACT crystallization
GOL glycerol crystallization
CL unknown crystallization
BCT bicarbonate ion crystallization

Structure information

Unit cell parameters

Space Group
P 32 2 1  
Unit Cell

a=85.23Å, b=85.23Å, c=228.86Å
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
29.89-2.25Å (2.31-2.25Å)  
Rall(%)
15.6 
Rwork(%)
15.4 (21.4) 
Rfree(%)
19.1 (26.6) 
Num. observed reflections
46526 (3363) 
Num. Rfree reflections
2372 (154) 
Completeness(%)
99.8 (99.1) 

Model parameters

Num Atoms
6605  
Num Waters
358  
Num Hetatoms
751  
Model mean isotropic B factor
49.000Å2  
RMSD bond length
0.007Å  
RMSD bond angle
1.365°  
Filename uploaded
6dux.pdb (uploaded on Jul 14, 2018 10:15 PM)  
Inserted
Jul 14, 2018