Structure of IDP91126

2.6 Angstrom Structure of the Extracellular Solute-binding Protein from Staphylococcus aureus in complex with PEG.

Edit deposit information
CSGID target
IDP91126 
PDB Id
4HS7 (NCBI MMDB
Authors
G.Minasov,L.Shuvalova,I.Dubrovska,J.Winsor,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
Oct 29, 2012 
Release Date
Nov 07, 2012 

Annotation

Ligands

Ligand code Name Ligand type
P33 3,6,9,12,15,18-hexaoxaicosane-1,20-diol crystallization
PEG crystallization
175 3,5-dihydro-5-methylidene-4h-imidazol-4-on

Structure information

Unit cell parameters

Space Group
P 65  
Unit Cell

a=101.86Å, b=101.86Å, c=191.34Å
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
29.99-2.60Å (2.67-2.60Å)  
Rall(%)
17.0 
Rwork(%)
16.7 (22.9) 
Rfree(%)
21.9 (30.8) 
Num. observed reflections
34114 (2498) 
Num. Rfree reflections
1705 (121) 
Completeness(%)
99.0 (99.6) 

Model parameters

Num Atoms
6178  
Num Waters
291  
Num Hetatoms
356  
Model mean isotropic B factor
39.590Å2  
RMSD bond length
0.012Å  
RMSD bond angle
1.370°  
Filename uploaded
rcsb075854.pdb (uploaded on Nov 12, 2012 3:38 PM)  
Inserted
Nov 12, 2012