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| Title: | | STRUCTURE OF THE FIRST PARALLEL DNA QUADRUPLEX-DRUG COMPLEX | |
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| Molecular Description: | 5'-D(TpGpGpGpGpT)-3' |
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| Structural Features: | B QUADRUPLE HELIX, PARALLEL-STRANDED TETRAPLEX |
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| Nucleic Acid Sequence: |
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| Chains | A, B, C, D: | |
(DT) (DG) (DG) (DG) (DG) (DT)
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| Primary Citation: | Clark, G.R., Pytel, P.D., Squire, C.J., Neidle, S.
Structure of the First Parallel DNA Quadruplex-drug Complex
J.Am.Chem.Soc.
, 125,
pp. 4066 - 4067, 2003.
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| Experimental Information: | X-RAY DIFFRACTION |
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| Space Group: |
C
1
2
1
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| Cell Constants: |
| a = 53.004 | b = 47.073 | c = 31.865 | (Ångstroms) |
 = 90.00 |  = 119.80 |  = 90.00 | (degrees) |
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| Crystallization Conditions: |
| Method: | | VAPOR DIFFUSION, SITTING DROP |
| Drop: | | NaCl, Cacodylate buffer, Calcium Chloride, Spermine, MPD |
| Reservoir: | | NaCl, Calcium Chloride, MPD |
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| Refinement: | The structure was refined using the SHELXL-97 program.
The R value is
15.7
for 18761 reflections
in the resolution range 10.0 to
1.17 Ångstroms
with Fobs > 4.0 sigma(Fobs).
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