8OHO

PanDDA analysis group deposition -- CdaA in complex with fragment F2X-Entry H11


Experimental Data Snapshot

  • Method: X-RAY DIFFRACTION
  • Resolution: 1.32 Å
  • R-Value Free: 0.225 
  • R-Value Work: 0.192 
  • R-Value Observed: 0.193 

wwPDB Validation   3D Report Full Report


Ligand Structure Quality Assessment 

Created with Raphaël 2.3.0Worse 01 BetterLigand structure goodness of fit to experimental dataBest fitted TBJClick on this verticalbar to view details

This is version 1.0 of the entry. See complete history


Literature

PanDDA analysis group deposition -- CdaA in complex with fragment F2X-Entry H11

Garbers, T.B.Neumann, P.Wollenhaupt, J.Weiss, M.S.Ficner, R.

To be published.

Macromolecules
Find similar proteins by:  (by identity cutoff)  |  3D Structure
Entity ID: 1
MoleculeChains Sequence LengthOrganismDetailsImage
Cyclic di-AMP synthase CdaA
A, B
154Bacillus subtilis subsp. subtilis str. 168Mutation(s): 0 
Gene Names: cdaAybbPBSU01750
EC: 2.7.7.85
UniProt
Find proteins for Q45589 (Bacillus subtilis (strain 168))
Explore Q45589 
Go to UniProtKB:  Q45589
Entity Groups  
Sequence Clusters30% Identity50% Identity70% Identity90% Identity95% Identity100% Identity
UniProt GroupQ45589
Sequence Annotations
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  • Reference Sequence
Experimental Data & Validation

Experimental Data

  • Method: X-RAY DIFFRACTION
  • Resolution: 1.32 Å
  • R-Value Free: 0.225 
  • R-Value Work: 0.192 
  • R-Value Observed: 0.193 
  • Space Group: C 1 2 1
Unit Cell:
Length ( Å )Angle ( ˚ )
a = 118.7α = 90
b = 39.33β = 95.28
c = 68.11γ = 90
Software Package:
Software NamePurpose
PHENIXrefinement
XSCALEdata scaling
XDSdata reduction
PHASERphasing

Structure Validation

View Full Validation Report



Ligand Structure Quality Assessment 

Created with Raphaël 2.3.0Worse 01 BetterLigand structure goodness of fit to experimental dataBest fitted TBJClick on this verticalbar to view details

Entry History & Funding Information

Deposition Data


Funding OrganizationLocationGrant Number
German Research Foundation (DFG)GermanySPP1879

Revision History  (Full details and data files)

  • Version 1.0: 2024-04-03
    Type: Initial release