Structure of IDP91871

Crystal structure of vancomycin resistance D,D-pentapeptidase VanY E175A mutant from VanB-type resistance cassette in complex with Zn(II)

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CSGID target
IDP91871 
PDB Id
5HNM (NCBI MMDB) 
Authors
P.J.Stogios,J.Chun,Z.Wawrzak,E.Evdokimova,R.Di Leo,V.Yim,P.Courvalin,A.Savchenko,W.F.Anderson,Center For Structural Genomics Of Infectious Diseases (Csgid) 
Responsible person
Peter Stogios 
Responsible lab
University of Calgary 
Deposition Date
Jan 18, 2016 
Release Date
Feb 10, 2016 

Annotation

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Ligands

Ligand code Name Ligand type
SO4 sulfate crystallization
175 3,5-dihydro-5-methylidene-4h-imidazol-4-on biological

Structure information

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Unit cell parameters

Space Group
P 1  
Unit Cell

a=55.71Å, b=77.32Å, c=85.86Å
α=101.34, β=108.13, γ=90.06 
Solvent content
 
Matthews coefficient
 

Refinement

Data for the highest resolution shell is in parentheses.
Resolution range
18.88-2.30Å (2.33-2.30Å)  
Rall(%)
22.2 
Rwork(%)
21.9 (31.2) 
Rfree(%)
27.5 (34.5) 
Num. observed reflections
61141 (3631) 
Num. Rfree reflections
3081 (195) 
Completeness(%)
95.8 (95.0) 

Model parameters

Num Atoms
8696  
Num Waters
531  
Num Hetatoms
565  
Model mean isotropic B factor
49.820Å2  
RMSD bond length
0.013Å  
RMSD bond angle
0.652°  
RMSD dihedral angle
11.883°
 
Filename uploaded
5hnm.pdb (uploaded on Mar 24, 2016 12:41 PM)  
Inserted
Jan 18, 2016