Structure of IDP95479

2.6 Angstrom Crystal Structure of S-adenosylhomocysteinase from Cryptosporidium parvum in Complex with Aristeromycin and NAD

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CSGID target
IDP95479 
PDB Id
5TJ9 (NCBI MMDB) 
Authors
G.Minasov,L.Shuvalova,O.Kiryukhina,I.Dubrovska,B.Bishop,K.Kwon,W.F.Anderson,Center For Structural Genomics Of Infectious Diseases (Csgid) 
Responsible person
George Minasov 
Responsible lab
Northwestern University 
Deposition Date
Oct 04, 2016 
Release Date
Oct 19, 2016 

Annotation

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Ligands

Ligand code Name Ligand type
7CY (1r,2s,3r,5r)-3-(6-amino-9h-purin-9-yl)-5-(hydroxymethy l)cyclopentane-1,2-diol biological
NAD biological
SO4 sulfate crystallization
P6G hexaethylene glycol crystallization
GOL glycerol crystallization
PEG crystallization

Structure information

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Unit cell parameters

Space Group
P 1 21 1  
Unit Cell

a=66.33Å, b=184.90Å, c=102.51Å
α=90.00, β=107.80, γ=90.00 
Solvent content
 
Matthews coefficient
 

Refinement

Data for the highest resolution shell is in parentheses.
Resolution range
29.88-2.60Å (2.67-2.60Å)  
Rall(%)
17.1 
Rwork(%)
16.8 (26.0) 
Rfree(%)
21.8 (29.6) 
Num. observed reflections
72019 (5275) 
Num. Rfree reflections
3744 (263) 
Completeness(%)
99.9 (99.9) 

Model parameters

Num Atoms
15692  
Num Waters
381  
Num Hetatoms
765  
Model mean isotropic B factor
56.920Å2  
RMSD bond length
0.008Å  
RMSD bond angle
1.452°  
Filename uploaded
5tj9.pdb (uploaded on Nov 08, 2016 3:58 PM)  
Inserted
Nov 08, 2016