Structure of IDP95646

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

Edit deposit information
CSGID target
IDP95646 
PDB Id
6P4U (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 28, 2019 
Release Date
Jun 12, 2019 

Annotation

Ligands

Ligand code Name Ligand type
AMP biological
MG magnesium biological
SO4 sulfate crystallization
CL chloride crystallization
ACT crystallization
GOL glycerol crystallization
FMT formate crystallization

Structure information

Unit cell parameters

Space Group
C 1 2 1  
Unit Cell

a=154.23Å, b=90.83Å, c=98.46Å
α=90.00, β=106.10, γ=90.00 
Solvent content
 
Matthews coefficient
 

Refinement

Data for the highest resolution shell is in parentheses.
Resolution range
46.08-2.10Å (0.00-0.00Å)  
Rall(%)
21.0 
Rwork(%)
20.8 (0.0) 
Rfree(%)
23.7 (0.0) 
Num. observed reflections
77085 (0) 
Num. Rfree reflections
3854 (0) 
Completeness(%)
96.3 (0.0) 

Model parameters

Num Atoms
6439  
Num Waters
157  
Num Hetatoms
286  
Model mean isotropic B factor
83.620Å2  
RMSD bond length
0.000Å  
RMSD bond angle
0.000°  
Filename uploaded
IDP95646_P2140_G3009_Mg_AMP.pdb (uploaded on Aug 04, 2020 4:53 PM)  
Inserted
Aug 04, 2020