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Information card for entry 2311091
Preview
| Coordinates | 2311091.cif |
|---|---|
| Structure factors | 2311091.hkl |
| Original paper (by DOI) | HTML |
| Formula | C73 H120 N16 O19.5 |
|---|---|
| Calculated formula | C73 H120 N16 O19.5 |
| Title of publication | A natural, single-residue substitution yields a less active peptaibiotic: the structure of bergofungin A at atomic resolution |
| Authors of publication | Gessmann, Renate; Axford, Danny; Brückner, Hans; Berg, Albrecht; Petratos, Kyriacos |
| Journal of publication | Acta Crystallographica Section F |
| Year of publication | 2017 |
| Journal volume | 73 |
| Journal issue | 2 |
| Pages of publication | 95 - 100 |
| a | 48.275 ± 0.01 Å |
| b | 8.932 ± 0.0018 Å |
| c | 24.604 ± 0.005 Å |
| α | 90° |
| β | 119.72 ± 0.03° |
| γ | 90° |
| Cell volume | 9214 ± 4 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 2 K |
| Number of distinct elements | 4 |
| Space group number | 5 |
| Hermann-Mauguin space group symbol | C 1 2 1 |
| Hall space group symbol | C 2y |
| Residual factor for all reflections | 0.1026 |
| Residual factor for significantly intense reflections | 0.0673 |
| Weighted residual factors for significantly intense reflections | 0.1521 |
| Weighted residual factors for all reflections included in the refinement | 0.1721 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.954 |
| Diffraction radiation wavelength | 0.7293 Å |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 193939 (current) | 2017-03-05 | cif/ hkl/ Adding structures of 2311091 via cif-deposit CGI script. |
2311091.cif 2311091.hkl |
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Users of the data should acknowledge the original authors of the
structural data.