Structure of IDP00699

1.90 Angstrom resolution crystal structure of apo betaine aldehyde dehydrogenase (betB) G234S mutant from Staphylococcus aureus (IDP00699) with BME-modified Cys289

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CSGID target
IDP00699 
PDB Id
4Q92 (NCBI MMDB) 
Authors
'A.S.Halavaty,G.Minasov,C.Chen,J.C.Joo,A.F.Yakunin,W.F.Anderson,Center For Structural Genomics Of Infectious Diseases (Csgid)' 
Responsible person
Andrei Halavaty 
Responsible lab
Northwestern University 
Deposition Date
Apr 28, 2014 
Release Date
May 07, 2014 

Annotation

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Ligands

Ligand code Name Ligand type
NA biological
PEG crystallization
175 3,5-dihydro-5-methylidene-4h-imidazol-4-on

Structure information

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Unit cell parameters

Space Group
C 1 2 1  
Unit Cell

a=157.36Å, b=156.44Å, c=88.42Å
α=90.00, β=110.01, γ=90.00 
Solvent content
 
Matthews coefficient
 

Refinement

Data for the highest resolution shell is in parentheses.
Resolution range
29.50-1.90Å (1.95-1.90Å)  
Rall(%)
19.5 
Rwork(%)
19.4 (25.8) 
Rfree(%)
22.3 (30.5) 
Num. observed reflections
155391 (11238) 
Num. Rfree reflections
7769 (560) 
Completeness(%)
98.7 (97.0) 

Model parameters

Num Atoms
16056  
Num Waters
1591  
Num Hetatoms
1674  
Model mean isotropic B factor
24.800Å2  
RMSD bond length
0.012Å  
RMSD bond angle
1.513°  
Filename uploaded
4Q92.pdb (uploaded on Jul 22, 2014 11:22 AM)  
Inserted
Jul 22, 2014