Structure of IDP97426

Crystal structure of 3-deoxy-D-arabinoheptulosonate-7-phosphate synthase/phospho-2-dehydro-3-deoxyheptonate aldolase (Aro3) from Candida auris

Edit deposit information
CSGID target
IDP97426 
PDB Id
6U8J (NCBI MMDB
Authors
'K.Michalska,E.Evdokimova,C.Semper,R.Di Leo,P.J.Stogios,A.Savchenko,A.Joachimiak,Center For Structural Genomics Of Infectious Diseases (Csgid)' 
Responsible person
Karolina Michalska 
Responsible lab
Argonne National Laboratory 
Deposition Date
Sep 05, 2019 
Release Date
Sep 18, 2019 

Annotation

Ligands

Ligand code Name Ligand type
UNX biological

Structure information

Unit cell parameters

Space Group
P 1 21 1  
Unit Cell

a=62.50Å, b=141.35Å, c=192.87Å
α=90.00, β=97.92, γ=90.00 
Solvent content
 
Matthews coefficient
 

Refinement

Data for the highest resolution shell is in parentheses.
Resolution range
48.97-2.49Å (2.52-2.49Å)  
Rall(%)
18.6 
Rwork(%)
18.4 (34.4) 
Rfree(%)
22.9 (41.3) 
Num. observed reflections
118761 (2794) 
Num. Rfree reflections
5961 (149) 
Completeness(%)
97.8 (78.0) 

Model parameters

Num Atoms
22713  
Num Waters
0  
Num Hetatoms
4  
Model mean isotropic B factor
90.490Å2  
RMSD bond length
0.008Å  
RMSD bond angle
0.999°  
RMSD dihedral angle
16.263°
 
RMSD improper torsion angle
0.06°
 
Filename uploaded
D_1000244137_model-annotate_P1.pdb (uploaded on Sep 09, 2019 1:58 PM)  
Inserted
Sep 09, 2019