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| Title: | | CRYSTAL STRUCTURE OF A PEPTIDE NUCLEIC ACID DUPLEX (BT-PNA) CONTAINING A BICYCLIC ANALOGUE OF THYMINE | |
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| Molecular Description: | PEPTIDE NUCLEIC ACID 5'-D(GPNOPNAPNTPN
APNCPNLYSNH2)-3' |
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| Structural Features: | DOUBLE HELIX |
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| Nucleic Acid Sequence: |
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| Chains | A, B, C, D: | |
(GPN) (OPN) (APN) (TPN) (APN) (CPN) K
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| Primary Citation: | Eldrup, A.B., Nielsen, B.B., Haaima, G., Rasmussen, H., Kastrup, J.S., Christensen, C., Nielsen, P.E.
1,8-Naphthyridin-2(1H)-ones. Novel Bicyclic and Tricyclic Analogues of Thymine in Peptide Nucleic Acids (PNAs)
Eur.J.Org.Chem.
, 9,
pp. 1781 - 1790, 2001.
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| Experimental Information: | X-RAY DIFFRACTION |
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| Space Group: |
P
21
21
2
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| Cell Constants: |
| a = 30.340 | b = 45.000 | c = 49.280 | (Ångstroms) |
 = 90.00 |  = 90.00 |  = 90.00 | (degrees) |
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| Crystallization Conditions: |
| Method: | | VAPOR DIFFUSION, HANGING DROP |
| Drop: | | 2-propanol, ammonium sulphate |
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| Refinement: | The structure was refined using the X-PLOR 3.851 program.
The R value is
20.8
for 4196 reflections
in the resolution range 6.0 to
1.82 Ångstroms
with I > 0 sigma(I).
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