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Structure of IDP00044

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

Edit deposit information
CSGID target
IDP00044 
PDB Id
3KZL (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
Dec 08, 2009 
Release Date
Dec 22, 2009 

Annotation

Ligands

Ligand code Name Ligand type
ACO acetyl coenzyme A
EPE 4-(2-hydroxyethyl)-1-piperazine ethanesulfonic acid
CL chloride ion
MG magnesium ion
MSE selenomethionine modified residue

Structure information

Unit cell parameters

Space Group
P 1 21 1  
Unit Cell

a=71.83Å, b=109.18Å, c=73.72Å
α=90.00, β=111.91, γ=90.00 
Solvent content
44.5  
Matthews coefficient
2.22  

Refinement

Data for the highest resolution shell is in parentheses.
Resolution range
34.57-2.10Å (2.15-2.10Å)  
Rall(%)
18.3 
Rwork(%)
18.0 (22.9) 
Rfree(%)
23.2 (26.1) 
Num. observed reflections
60726 (4082) 
Num. Rfree reflections
3097 (208) 
Completeness(%)
98.8 (91.0) 

Model parameters

Num Atoms
8859  
Num Waters
455  
Num Hetatoms
0  
Model mean isotropic B factor
14.300Å2  
RMSD bond length
0.014Å  
RMSD bond angle
1.516°  
Filename uploaded
hkl_refine_101.pdb (uploaded on May 31, 2010 11:06 AM)  
Inserted
May 31, 2010