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Structure of IDP00044

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

Edit deposit information
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

Ligands

Ligand code Name Ligand type
ACO
MG
EPE
MSE modified residue

Structure information

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