NDB ID: ZD0015


Title:SELENIUM-ASSISTED NUCLEIC ACID CRYSTALLOGRAPHY: USE OF PHOSPHOROSELENOATES FOR MAD PHASING OF A DNA STRUCTURE
Molecular Description:5'-D(Cp(GMS)pCpGpCpG)-3'
Structural Features:Z DOUBLE HELIX
Nucleic Acid Sequence:
ChainsA, B: (DC) (GMS) (DC) (DG) (DC) (DG)
Primary Citation:Wilds, C.J., Pattanayek, R., Pan, C., Wawrzak, Z., Egli, M.
Selenium-Assisted Nucleic Acid Crystallography: Use of Phosphoroselenoates for MAD Phasing of a DNA Structure
J.Am.Chem.Soc. , 124, pp. 14910 - 14916, 2002.
Experimental Information:X-RAY DIFFRACTION
Space Group: 21   21   21
Cell Constants:
a = 17.778b = 31.348c = 44.116(Ångstroms)
= 90.00 = 90.00 = 90.00(degrees)
Crystallization Conditions:
Method:VAPOR DIFFUSION, SITTING DROP
Drop:DNA, MgCl, sodium cacodylate, spermine tetrahydrochloride
Reservoir:MPD
Refinement:The structure was refined using the SHELXL-97 program. The R value is 9.7 for 9718 reflections in the resolution range 20.0 to 1.10 Ångstroms with I > 0.0 sigma(I).

Biological Unit 1
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Coordinate + Structure Data

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

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

Biological Unit coordinates (pdb format)

Structure Factors (cif format)

XML | Complete with coordinates (xml format, GNU compressed(.gz))
XML | Coordinates only (xml format, GNU compressed(.gz))
XML | Header only (xml format, GNU compressed(.gz))

Derivative Data

Nucleic Acid Backbone Torsions

Base Pair Parameters

Base Pair Step Parameters

Hydrogen Bonding Classification

Links

The Protein Data Bank: 1VRO

PubMed: 12475332




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