NDB ID: ADH034


Title:THE HEXAGONAL CRYSTAL STRUCTURE OF THE A-DNA OCTAMER D(GTGTACAC) AND ITS COMPARISON WITH THE TETRAGONAL STRUCTURE CORRELATED VARIATIONS IN HELICAL PARAMETERS
Molecular Description:5'-D(GpTpGpTpApCpApC)-3'
HEXAGONAL
Structural Features:A DOUBLE HELIX
Nucleic Acid Sequence:
ChainA: G T G T A C A C
Primary Citation:Jain, S.C., Zon, G., Sundaralingam, M.
The Hexagonal Crystal Structure of the A-DNA Octamer d(GTGTACAC) and Its Comparison with the Tetragonal Structure Correlated Variations in Helical Parameters
Biochemistry , 30, pp. 3567 - 3576, 1991.
Experimental Information:X-RAY DIFFRACTION
Space Group: 61   2
Cell Constants:
a = 32.400b = 32.400c = 79.250(Ångstroms)
= 90.00 = 90.00 = 120.00(degrees)
Crystallization Conditions:
Method:VAPOR DIFFUSION
Drop:WATER, MPD, MgCl2, SPERMINE
Reservoir:WATER, MPD
Refinement:The structure was refined using the NUCLSQ program. The R value is 12.7 for 1561 reflections in the resolution of 2.000 with I > 1.500 sigma(I).

Biological Assembly 1
Other Views
Asymmetric Unit
Crystal Packing
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Coordinate + Structure Data

Asymmetric Unit coordinates (pdb format, Unix compressed(.gz))

Asymmetric Unit coordinates (cif format, Unix compressed(.gz))

Biological Assembly coordinates (pdb format)

Derivative Data

Nucleic Acid Backbone Torsions

Base Pair Parameters

Base Pair Step Parameters

Hydrogen Bonding Classification




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