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Structure of IDP00919

The Crystal Structure of the D-alanyl-alanine Synthetase A from Salmonella enterica Typhimurium Complexed with ADP

Edit deposit information
CSGID target
IDP00919 
PDB Id
3Q1K (NCBI MMDB
Authors
R.Zhang,N.Maltseva,L.Papazisi,W.Anderson,A.Joachimiak,Center For Structural Genomics Of Infectious Diseases (Csgid) 
Responsible person
Rong-guang Zhang 
Responsible lab
Argonne National Laboratory 
Deposition Date
Dec 17, 2010 
Release Date
Jan 12, 2011 

Annotation

Ligands

Ligand code Name Ligand type
FMT crystallization
ADP biological
GOL crystallization
SO4 crystallization
MSE modified residue
175 3,5-dihydro-5-methylidene-4h-imidazol-4-on

Structure information

Unit cell parameters

Space Group
P 21 21 21  
Unit Cell

a=85.15Å, b=85.81Å, c=230.89Å
α=90.00, β=90.00, γ=90.00 
Solvent content
53.4  
Matthews coefficient
2.64  

Refinement

Data for the highest resolution shell is in parentheses.
Resolution range
47.54-2.20Å (2.28-2.20Å)  
Rall(%)
17.8 
Rwork(%)
17.6 (22.2) 
Rfree(%)
22.1 (29.4) 
Num. observed reflections
90733 (8449) 
Num. Rfree reflections
4545 (440) 
Completeness(%)
99.9 (99.0) 

Model parameters

Num Atoms
11142  
Num Waters
481  
Num Hetatoms
234  
Model mean isotropic B factor
47.130Å2  
RMSD bond length
0.010Å  
RMSD bond angle
1.274°  
RMSD dihedral angle
17.727°
 
Filename uploaded
dep.pdb (uploaded on Dec 17, 2010 2:31 PM)  
Inserted
Dec 17, 2010