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Structure of IDP00044

Crystal structure of BA2930 mutant (H183G) in complex with AcCoA

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CSGID target
IDP00044 
PDB Id
3N0M (NCBI MMDB) 
Authors
M.M.Klimecka,M.Chruszcz,P.J.Porebski,M.Cymborowski,W.F.Anderson,W.Minor 
Responsible person
Majka Klimecka 
Responsible lab
University of Virginia 
Deposition Date
May 14, 2010 
Release Date
Jun 09, 2010 

Annotation

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Ligands

Ligand code Name Ligand type
ACO
CL chloride
MSE modified residue

Structure information

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Unit cell parameters

Space Group
P 21 21 21  
Unit Cell

a=36.85Å, b=110.61Å, c=132.59Å
α=90.00, β=90.00, γ=90.00 
Solvent content
44.91  
Matthews coefficient
2.23  

Refinement

Data for the highest resolution shell is in parentheses.
Resolution range
50.00-2.40Å (2.47-2.40Å)  
Rall(%)
21.5 
Rwork(%)
21.2 (28.9) 
Rfree(%)
25.8 (30.9) 
Num. observed reflections
21350 (1494) 
Num. Rfree reflections
1088 (77) 
Completeness(%)
97.1 (91.9) 

Model parameters

Num Atoms
4243  
Num Waters
43  
Num Hetatoms
0  
Model mean isotropic B factor
47.810Å2  
RMSD bond length
0.017Å  
RMSD bond angle
1.649°  
Filename uploaded
hkl_refine_22.pdb (uploaded on Jun 01, 2010 10:47 AM)  
Inserted
Jun 01, 2010