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Information card for entry 7125576
Preview
Coordinates | 7125576.cif |
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Original paper (by DOI) | HTML |
Chemical name | t-Butoxycarbonyl-leucyl-(alpha-aminoisobutyryl)-valyl-alanyl-leucyl- (alpha-aminoisobutyryl)-valyl-D-alanyl-D-leucyl-(alpha-aminoisobutyryl)-leucyl -(alpha-aminoisobutyryl)-valyl-methyl ester monohydrate |
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Formula | C67 H121 N13 O17 |
Calculated formula | C67 H121 N13 O17 |
Title of publication | A right handed peptide helix containing a central double D-amino acid segment. |
Authors of publication | Aravinda, Subrayashastry; Shamala, Narayanaswamy; Desiraju, Shrilakshmi; Balaram, Padmanabhan |
Journal of publication | Chemical communications (Cambridge, England) |
Year of publication | 2002 |
Journal issue | 20 |
Pages of publication | 2454 - 2455 |
a | 17.179 ± 0.005 Å |
b | 13.686 ± 0.004 Å |
c | 19.053 ± 0.006 Å |
α | 90° |
β | 108.845 ± 0.005° |
γ | 90° |
Cell volume | 4239 ± 2 Å3 |
Cell temperature | 293 ± 2 K |
Ambient diffraction temperature | 293 ± 2 K |
Number of distinct elements | 4 |
Space group number | 4 |
Hermann-Mauguin space group symbol | P 1 21 1 |
Hall space group symbol | P 2yb |
Residual factor for all reflections | 0.1592 |
Residual factor for significantly intense reflections | 0.0868 |
Weighted residual factors for significantly intense reflections | 0.2181 |
Weighted residual factors for all reflections included in the refinement | 0.2629 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.039 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
Revision | Date | Message | Files |
---|---|---|---|
244056 (current) | 2019-11-28 | cif/ Adding structures of 7125576 via cif-deposit CGI script. |
7125576.cif |
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