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Structure of IDP00044

Crystal structure of BA2930 in complex with CoA

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CSGID target
IDP00044  
PDB Id
3IJW (NCBI MMDB)  
Authors
Klimecka, M.M., Chruszcz, M., Skarina, T., Onopryienko, O., Cymborowski, M., Savchenko, A., Edwards, A., Anderson, W., Minor, W., Center for Structural Genomics of Infectious Diseases (CSGID)  
Responsible person
Majka Klimecka  
Responsible lab
University of Virginia  
Deposition Date
2009-08-05  
Release Date
2009-10-13  

Annotation

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Ligands

Ligand code Name Ligand type
ACO acetyl coenzyme A
CL chloride ion
MG magnesium ion

Structure information

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Unit cell parameters

Space Group
P 21 21 21  
Unit Cell
a=36.85Å, b=109.96Å, c=133.56Å
α=90.00, β=90.00, γ=90.00  
Solvent content
 
Matthews coefficient
 

Refinement

Data for the highest resolution shell is in parentheses.
Resolution range
50.00-1.90Å (1.95-1.90Å)  
Rall
18.8%  
Rwork
18.6% (26.9%)  
Rfree
23.1% (31.2%)  
Num. observed reflections
43714 (3162)  
Num. Rfree reflections
2185 (152)  
Completeness
99.7% (99.3%)  

Model parameters

Num Atoms
4575  
Num Waters
671  
Num Hetatoms
-4067  
Model mean isotropic B factor
25.75Å2  
RMSD bond length
0.022Å  
RMSD bond angle
1.699°  
RMSD dihedral angle
°  
RMSD improper torsion angle
°  
Filename uploaded
hkl_refine_31.pdb (uploaded on 2009-08-05 10:54:04-04)