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| Title: | | CRYSTAL STRUCTURE OF A PARTLY SELF-COMPLEMENTARY PEPTIDE NUCLEIC ACID (PNA) OLIGOMER SHOWING A DUPLEX-TRIPLEX NETWORK | |
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| Molecular Description: | 5'-D((GPN)p(TPN)(APN)(GPN)(APN)(TPN)
(CPN)(APN)(CPN)(TPN)(LYS)(NH2))-3' |
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| Structural Features: | DOUBLE HELIX |
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| Nucleic Acid Sequence: |
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| Chains | A, B: | |
(GPN) (TPN) (APN) (GPN) (APN) (TPN) (CPN) (APN) (CPN) (TPN) K
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| Primary Citation: | Petersson, B., Nielsen, B.B., Rasmussen, H., Larsen, I.K., Gajhede, M., Nielsen, P.E., Kastrup, J.S.
Crystal Structure of a Partly Self-Complementary Peptide Nucleic Acid (PNA) Oligomer Showing a Duplex-Triplex Network
J.Am.Chem.Soc.
, 127,
pp. 1424 - 1430, 2005.
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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 = 55.600 | b = 41.900 | c = 30.100 | (Ångstroms) |
 = 90.00 |  = 117.70 |  = 90.00 | (degrees) |
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| Crystallization Conditions: |
| Method: | | VAPOR DIFFUSION, HANGING DROP |
| Drop: | | magnesium chloride, PEG
8000 glycerol, H2O, isopropanol, calcium chloride, acetate, H2O |
| Reservoir: | | PEG
8000 H2O, isopropanol, calcium chloride, acetate, H2O |
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| Refinement: | The structure was refined using the CNS program.
The R value is
25.5
for 1517 reflections
in the resolution range 27.0 to
2.6 Ångstroms
with Fobs > 3.0 sigma(Fobs).
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