1M69 | pdb_00001m69

Atomic Resolution Structure of 5Br-9amino-DACA with d[CGTACG]2

Experimental Data Snapshot

  • Method: X-RAY DIFFRACTION
  • Resolution: 1.10 Å
  • R-Value Free: 
    0.186 (Depositor), 0.190 (DCC) 
  • R-Value Work: 
    0.133 (Depositor), 0.150 (DCC) 
  • R-Value Observed: 
    0.133 (Depositor) 

Starting Model: experimental
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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 DAXClick on this verticalbar to view detailsBest fitted SPMClick on this verticalbar to view details

This is version 1.6 of the entry. See complete history. 


Literature

Heavy Going: the Atomic Resolution Structure of a Topoisomerase II Poison Intercalating into DNA in Multiple Orientations Also Reveals a Multiple Adenine-Thymine Hydrogen Bonding Pattern

Teixeira, S.C.M., Thorpe, J.H., Todd, A.K., Cardin, C.J.

To be published.

Macromolecules

Find similar nucleic acids by:  Sequence   |   3D Structure  

Entity ID: 1
MoleculeChains LengthOrganismImage
5'-D(*CP*GP*TP*AP*CP*G)-3'6N/A
Sequence Annotations
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  • Reference Sequence
Experimental Data & Validation

Experimental Data

  • Method: X-RAY DIFFRACTION
  • Resolution: 1.10 Å
  • R-Value Free:  0.186 (Depositor), 0.190 (DCC) 
  • R-Value Work:  0.133 (Depositor), 0.150 (DCC) 
  • R-Value Observed: 0.133 (Depositor) 
Space Group: P 64
Unit Cell:
Length ( Å )Angle ( ˚ )
a = 30.186α = 90
b = 30.186β = 90
c = 39.443γ = 120
Software Package:
Software NamePurpose
MAR345data collection
XDSdata reduction
SHELXmodel building
SHELXL-97refinement
XDSdata scaling
SHELXphasing

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 DAXClick on this verticalbar to view detailsBest fitted SPMClick on this verticalbar to view details

View more in-depth experimental data
Entry History 

Deposition Data

Revision History  (Full details and data files)

  • Version 1.0: 2003-08-19
    Type: Initial release
  • Version 1.1: 2008-04-28
    Changes: Version format compliance
  • Version 1.2: 2011-07-13
    Changes: Version format compliance
  • Version 1.3: 2012-02-08
    Changes: Derived calculations
  • Version 1.4: 2017-10-11
    Changes: Refinement description
  • Version 1.5: 2024-02-14
    Changes: Data collection, Database references, Derived calculations
  • Version 1.6: 2024-04-03
    Changes: Refinement description