Structure of IDP91132

1.75 Angstrom Crystal Structure of Superantigen-like Protein, Exotoxin from Staphylococcus aureus, in Complex with Sialyl-LewisX.

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CSGID target
IDP91132 
PDB Id
5I4D (NCBI MMDB) 
Authors
G.Minasov,S.Nocadello,L.Shuvalova,E.V.Filippova,A.Halavaty,I.Dubrovska,F.Bagnoli,F.Falugi,M.Bottomley,G.Grandi,W.F.Anderson,Center For Structural Genomics Of Infectious Diseases (Csgid) 
Responsible person
George Minasov 
Responsible lab
Northwestern University 
Deposition Date
Feb 11, 2016 
Release Date
Feb 24, 2016 

Annotation

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Ligands

Ligand code Name Ligand type
FUC alpha-l-fucose biological
GAL beta-d-galactose biological
SIA o-sialic acid biological
PGE crystallization
PG4 crystallization
NAG n-acetyl-d-glucosamine biological
175 3,5-dihydro-5-methylidene-4h-imidazol-4-on

Structure information

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Unit cell parameters

Space Group
P 21 21 2  
Unit Cell

a=85.97Å, b=166.88Å, c=34.14Å
α=90.00, β=90.00, γ=90.00 
Solvent content
 
Matthews coefficient
 

Refinement

Data for the highest resolution shell is in parentheses.
Resolution range
29.94-1.75Å (1.80-1.75Å)  
Rall(%)
16.3 
Rwork(%)
16.1 (21.7) 
Rfree(%)
20.2 (27.2) 
Num. observed reflections
50393 (3565) 
Num. Rfree reflections
2570 (198) 
Completeness(%)
99.6 (96.1) 

Model parameters

Num Atoms
3533  
Num Waters
641  
Num Hetatoms
846  
Model mean isotropic B factor
22.850Å2  
RMSD bond length
0.010Å  
RMSD bond angle
1.546°  
Filename uploaded
5i4d.pdb (uploaded on Jul 20, 2016 3:58 PM)  
Inserted
Jul 20, 2016