Structure of IDP91125

1.93 Angstrom Crystal Structure of Superantigen-like Protein from Staphylococcus aureus in Complex with Sialyl-Lewis X.

Edit deposit information
CSGID target
IDP91125 
PDB Id
4RFB (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
Sep 25, 2014 
Release Date
Oct 08, 2014 

Annotation

Ligands

Ligand code Name Ligand type
FUC alpha-l-fucose biological
GAL beta-d-galactose biological
SIA o-sialic acid biological
CL CHLORIDE ION crystallization
PEG crystallization
PGE crystallization
EDO crystallization
175 3,5-dihydro-5-methylidene-4h-imidazol-4-on

Structure information

Unit cell parameters

Space Group
P 21 21 21  
Unit Cell

a=42.64Å, b=108.20Å, c=167.66Å
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
28.83-1.93Å (1.98-1.93Å)  
Rall(%)
17.1 
Rwork(%)
16.9 (17.9) 
Rfree(%)
21.8 (22.1) 
Num. observed reflections
59254 (4280) 
Num. Rfree reflections
3021 (221) 
Completeness(%)
99.7 (99.9) 

Model parameters

Num Atoms
6570  
Num Waters
471  
Num Hetatoms
751  
Model mean isotropic B factor
34.300Å2  
RMSD bond length
0.011Å  
RMSD bond angle
1.637°  
Filename uploaded
4RFB.pdb (uploaded on Nov 13, 2014 1:31 PM)  
Inserted
Nov 13, 2014