1QYL | pdb_00001qyl

GCATGCT + Vanadium

Experimental Data Snapshot

  • Method: X-RAY DIFFRACTION
  • Resolution: 1.00 Å
  • R-Value Free: 
    0.184 (Depositor) 
  • R-Value Work: 
    0.149 (Depositor), 0.150 (DCC) 
  • R-Value Observed: 
    0.149 (Depositor) 

Starting Model: experimental
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wwPDB Validation   3D Report Full Report


This is version 1.4 of the entry. See complete history. 


Literature

Metal Ion Distribution and Stabilisation of the DNA Quadruplex Structure Formed by d(GCATGCT)

Cardin, C.J., GAN, Y., Thorpe, J.H., Teixeira, S.C.M., Gale, B.C., Moraes, M.I.A.

To be published.

Macromolecules

Find similar nucleic acids by:  Sequence   |   3D Structure  

Entity ID: 1
MoleculeChains LengthOrganismImage
5'-D(*GP*CP*AP*TP*GP*CP*T)-3'7N/A
Sequence Annotations
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  • Reference Sequence
Small Molecules
Ligands 1 Unique
IDChains Name / Formula / InChI Key2D Diagram3D Interactions
V
Query on V
Download Ideal Coordinates CCD File 
B [auth A]VANADIUM ION
V
KOKKJWHERHSKEB-UHFFFAOYSA-N
Experimental Data & Validation

Experimental Data

  • Method: X-RAY DIFFRACTION
  • Resolution: 1.00 Å
  • R-Value Free:  0.184 (Depositor) 
  • R-Value Work:  0.149 (Depositor), 0.150 (DCC) 
  • R-Value Observed: 0.149 (Depositor) 
Space Group: C 2 2 2
Unit Cell:
Length ( Å )Angle ( ˚ )
a = 22.532α = 90
b = 58.469β = 90
c = 24.148γ = 90
Software Package:
Software NamePurpose
SHELXmodel building
SHELXL-97refinement
XDSdata reduction
XDSdata scaling
XTALVIEWrefinement

Structure Validation

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View more in-depth experimental data
Entry History 

Deposition Data

Revision History  (Full details and data files)

  • Version 1.0: 2003-10-21
    Type: Initial release
  • Version 1.1: 2008-04-29
    Changes: Version format compliance
  • Version 1.2: 2011-07-13
    Changes: Version format compliance
  • Version 1.3: 2024-02-14
    Changes: Data collection, Database references, Derived calculations
  • Version 1.4: 2024-04-03
    Changes: Refinement description