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Information card for entry 2021764
Preview
| Coordinates | 2021764.cif |
|---|---|
| Structure factors | 2021764.hkl |
| Original IUCr paper | HTML |
| Chemical name | [Leu^2^]Gramicidin S |
|---|---|
| Formula | C65.89 H107.18 N10 O12.7 |
| Calculated formula | C65.89 H107.18 N10 O12.6997 |
| Title of publication | [Leu^2^]Gramicidin S preserves the structural properties of its parent peptide and forms helically aligned β-sheets |
| Authors of publication | Asano, Akiko; Matsuoka, Shiori; Minami, Chisato; Kato, Takuma; Doi, Mitsinobu |
| Journal of publication | Acta Crystallographica Section C |
| Year of publication | 2019 |
| Journal volume | 75 |
| Journal issue | 10 |
| a | 14.4354 ± 0.0001 Å |
| b | 14.4617 ± 0.0001 Å |
| c | 28.6558 ± 0.0002 Å |
| α | 93.284 ± 0.001° |
| β | 101.441 ± 0.001° |
| γ | 113.33 ± 0.001° |
| Cell volume | 5322.26 ± 0.08 Å3 |
| Cell temperature | 103 ± 2 K |
| Ambient diffraction temperature | 103 ± 2 K |
| Number of distinct elements | 4 |
| Space group number | 1 |
| Hermann-Mauguin space group symbol | P 1 |
| Hall space group symbol | P 1 |
| Residual factor for all reflections | 0.0351 |
| Residual factor for significantly intense reflections | 0.0345 |
| Weighted residual factors for significantly intense reflections | 0.0907 |
| Weighted residual factors for all reflections included in the refinement | 0.0913 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.899 |
| Diffraction radiation wavelength | 1.54184 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 218065 (current) | 2019-09-07 | cif/ hkl/ Adding structures of 2021764 via cif-deposit CGI script. |
2021764.cif 2021764.hkl |
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