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Structure of IDP00919

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

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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

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Ligands

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

Structure information

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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