Structure of IDP95646

The structure of condensation and adenylation domains of teixobactin-producing nonribosomal peptide synthetase Txo1 serine module in complex with Mg

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CSGID target
IDP95646 
PDB Id
6P3I (NCBI MMDB) 
Authors
K.TAN,M.ZHOU,R.JEDRZEJCZAK,G.BABNIGG,A.JOACHIMIAK,CENTER FOR STRUCTURAL GENOMICS OF INFECTIOUS DISEASES (CSGID)  
Responsible person
Kemin Tan 
Responsible lab
Argonne National Laboratory 
Deposition Date
May 23, 2019 
Release Date
Jun 05, 2019 

Annotation

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Ligands

Ligand code Name Ligand type
MSE modified residue
MG magnesium biological
MES MES crystallization
SO4 sulfate crystallization

Structure information

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Unit cell parameters

Space Group
C 1 2 1  
Unit Cell

a=154.49Å, b=90.66Å, c=98.80Å
α=90.00, β=106.00, γ=90.00 
Solvent content
 
Matthews coefficient
 

Refinement

Data for the highest resolution shell is in parentheses.
Resolution range
45.33-2.15Å (0.00-0.00Å)  
Rall(%)
20.3 
Rwork(%)
20.1 (0.0) 
Rfree(%)
23.1 (0.0) 
Num. observed reflections
73670 (0) 
Num. Rfree reflections
3558 (0) 
Completeness(%)
98.5 (0.0) 

Model parameters

Num Atoms
6209  
Num Waters
117  
Num Hetatoms
354  
Model mean isotropic B factor
86.070Å2  
RMSD bond length
0.000Å  
RMSD bond angle
0.000°  
Filename uploaded
IDP95646_P2140_G3009_Mg.pdb (uploaded on Aug 04, 2020 4:57 PM)  
Inserted
Aug 04, 2020