Structure of IDP91955

Crystal structure of iron uptake ABC transporter substrate-binding protein PiaA from Streptococcus pneumoniae Canada MDR_19A bound to hydroxymate siderophore ferrioxamine E and iron(III)

Edit deposit information
CSGID target
IDP91955 
PDB Id
5JJ5 (NCBI MMDB
Authors
P.J.Stogios,Z.Wawrzak,M.Kurdritska,V.Yim,A.Savchenko,W.F.Anderson,Center For Structural Genomics Of Infectious Diseases (Csgid) 
Responsible person
Peter Stogios 
Responsible lab
University of Calgary 
Deposition Date
Apr 22, 2016 
Release Date
May 04, 2016 

Annotation

Ligands

Ligand code Name Ligand type
CL CHLORIDE ION crystallization
GOL crystallization
6L0 biological
175 3,5-dihydro-5-methylidene-4h-imidazol-4-on

Structure information

Unit cell parameters

Space Group
P 1 21 1  
Unit Cell

a=77.81Å, b=73.84Å, c=87.16Å
α=90.00, β=115.79, γ=90.00 
Solvent content
 
Matthews coefficient
 

Refinement

Data for the highest resolution shell is in parentheses.
Resolution range
29.24-2.30Å (2.34-2.30Å)  
Rall(%)
14.8 
Rwork(%)
14.6 (18.6) 
Rfree(%)
19.6 (25.5) 
Num. observed reflections
38632 (890) 
Num. Rfree reflections
1923 (44) 
Completeness(%)
63.6 (22.0) 

Model parameters

Num Atoms
4771  
Num Waters
543  
Num Hetatoms
667  
Model mean isotropic B factor
34.510Å2  
RMSD bond length
0.005Å  
RMSD bond angle
0.616°  
RMSD dihedral angle
11.357°
 
Filename uploaded
5jj5.pdb (uploaded on May 04, 2016 11:14 AM)  
Inserted
Apr 22, 2016