Structure of IDP01631

Crystal Structure of a Putative Cystathionine beta-Synthase from Coxiella burnetii

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CSGID target
IDP01631 
PDB Id
4OFX (NCBI MMDB) 
Authors
J.S.Brunzelle,Z.Wawrzak,O.Onopriyenko,A.Savchenko,W.F.Anderson,Center For Structural Genomics Of Infectious Diseases (Csgid) 
Responsible person
Joseph Brunzelle 
Responsible lab
Northwestern University 
Deposition Date
Jan 15, 2014 
Release Date
Jan 15, 2014 

Annotation

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Ligands

Ligand code Name Ligand type
175 3,5-dihydro-5-methylidene-4h-imidazol-4-on

Structure information

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Unit cell parameters

Space Group
P 21 21 2  
Unit Cell

a=67.17Å, b=99.74Å, c=42.50Å
α=90.00, β=90.00, γ=90.00 
Solvent content
 
Matthews coefficient
 

Refinement

Data for the highest resolution shell is in parentheses.
Resolution range
21.69-1.74Å (1.80-1.74Å)  
Rall(%)
19.7 
Rwork(%)
19.5 (23.0) 
Rfree(%)
23.2 (23.4) 
Num. observed reflections
30510 (2450) 
Num. Rfree reflections
1549 (153) 
Completeness(%)
96.6 (96.6) 

Model parameters

Num Atoms
2182  
Num Waters
249  
Num Hetatoms
2  
Model mean isotropic B factor
39.680Å2  
RMSD bond length
0.010Å  
RMSD bond angle
1.010°  
RMSD dihedral angle
3.36°
 
RMSD improper torsion angle
2.59°
 
Filename uploaded
IDP01631_deposit.pdb (uploaded on Jan 27, 2014 5:47 PM)  
Inserted
Jan 27, 2014