Structure of IDP90800

Crystal Structure of Pantoate--Beta-Alanine Ligase from Campylobacter jejuni complexed with AMP and vitamin B5

Edit deposit information
CSGID target
IDP90800 
PDB Id
3UY4 (NCBI MMDB
Authors
Y.Kim,M.Zhou,K Kwon,W.F.Anderson,A.Joachimiak,Center For Structural Genomics Of Infectious Diseases (Csgid) 
Responsible person
Youngchang Kim 
Responsible lab
Argonne National Laboratory 
Deposition Date
Dec 05, 2011 
Release Date
Dec 28, 2011 

Annotation

Ligands

Ligand code Name Ligand type
PTA [(1-amino-3-methyl-butyl)-hydroxy-phosphinoyl]-acetic a cid crystallization
AMP crystallization
MSE modified residue
175 3,5-dihydro-5-methylidene-4h-imidazol-4-on

Structure information

Unit cell parameters

Space Group
P 61 2 2  
Unit Cell

a=83.40Å, b=83.40Å, c=150.16Å
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
40.18-1.85Å (1.93-1.85Å)  
Rall(%)
17.2 
Rwork(%)
17.1 (19.7) 
Rfree(%)
20.1 (25.0) 
Num. observed reflections
26995 (1753) 
Num. Rfree reflections
1347 (90) 
Completeness(%)
95.1 (60.0) 

Model parameters

Num Atoms
2453  
Num Waters
195  
Num Hetatoms
94  
Model mean isotropic B factor
27.600Å2  
RMSD bond length
0.005Å  
RMSD bond angle
0.968°  
RMSD dihedral angle
14.3°
 
Filename uploaded
dep.pdb (uploaded on Dec 09, 2011 4:19 PM)  
Inserted
Dec 09, 2011