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Structure of IDP00044

Crystal structure of BA2930 mutant (H183A) in complex with AcCoA

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CSGID target
IDP00044 
PDB Id
3N0S (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
MG magnesium
EPE
MSE modified residue

Structure information

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Unit cell parameters

Space Group
P 1 21 1  
Unit Cell

a=72.04Å, b=109.44Å, c=74.05Å
α=90.00, β=111.86, γ=90.00 
Solvent content
45.02  
Matthews coefficient
2.24  

Refinement

Data for the highest resolution shell is in parentheses.
Resolution range
50.00-2.15Å (2.21-2.15Å)  
Rall(%)
17.6 
Rwork(%)
17.3 (22.3) 
Rfree(%)
22.8 (29.8) 
Num. observed reflections
57366 (4133) 
Num. Rfree reflections
2925 (205) 
Completeness(%)
99.0 (96.6) 

Model parameters

Num Atoms
8881  
Num Waters
374  
Num Hetatoms
0  
Model mean isotropic B factor
12.490Å2  
RMSD bond length
0.021Å  
RMSD bond angle
1.714°  
Filename uploaded
hkl_refine_26.pdb (uploaded on May 31, 2010 10:05 AM)  
Inserted
May 31, 2010