Structure of IDP02066

1.70 Angstrom resolution crystal structure of outer-membrane lipoprotein carrier protein (lolA) from Yersinia pestis CO92

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CSGID target
IDP02066 
PDB Id
4KI3 (NCBI MMDB) 
Authors
'A.S.Halavaty,Z.Wawrzak,M.Kudritska,A.Savchenko,W.F.Anderson,Center For Structural Genomics Of Infectious Diseases (Csgid)' 
Responsible person
Andrei Halavaty 
Responsible lab
Northwestern University 
Deposition Date
May 01, 2013 
Release Date
May 15, 2013 

Annotation

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Description
The structure of outer-membrane lipoprotein carrier protein construct spanning residues 22-202 was determined by molecular replacement and refined to 1.70-A resolution. The P1 asymmetric unit contains twelve chains that are arranged in 4 propeller-like trimers. Two neighboring pairs of trimers are in head-to-head orientation in the crystal. However, PISA server did not predict trimeric assemblies for the structure though a few hydrogen bonds and 70+ van der Waals contacts present in each trimer. Each individual chain is composed of beta-strands (12) that form twisted antiparallel beta-sheet core of the protein. Five alpha helices decorate the core. One side of the beta-sheet is solvent exposed, while other is capped by 4 helices.  
Functional assignment
Chaperone 

Ligands

Ligand code Name Ligand type
PEG crystallization
GOL glycerol crystallization
175 3,5-dihydro-5-methylidene-4h-imidazol-4-on

Structure information

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Unit cell parameters

Space Group
P 1  
Unit Cell

a=67.20Å, b=67.13Å, c=132.56Å
α=94.30, β=94.01, γ=120.01 
Solvent content
 
Matthews coefficient
 

Refinement

Data for the highest resolution shell is in parentheses.
Resolution range
29.09-1.70Å (1.74-1.70Å)  
Rall(%)
20.5 
Rwork(%)
20.4 (22.2) 
Rfree(%)
24.0 (30.9) 
Num. observed reflections
207033 (13371) 
Num. Rfree reflections
10558 (720) 
Completeness(%)
93.8 (82.0) 

Model parameters

Num Atoms
17653  
Num Waters
1497  
Num Hetatoms
1607  
Model mean isotropic B factor
22.520Å2  
RMSD bond length
0.012Å  
RMSD bond angle
1.657°  
Filename uploaded
4KI3.pdb (uploaded on Jun 05, 2015 3:57 PM)  
Inserted
May 01, 2013