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Information card for entry 7212498
Preview
| Coordinates | 7212498.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C158 H275 N41 O45.5 |
|---|---|
| Calculated formula | C158 H275 N41 O45.5 |
| Title of publication | Revised electrostatics from invariom refinement of the 18-residue peptaibol antibiotic trichotoxin A50E |
| Authors of publication | Dittrich, Birger; Bond, Charles S.; Kalinowski, Roman; Spackman, M. A.; Jayatilaka, Dylan |
| Journal of publication | CrystEngComm |
| Year of publication | 2010 |
| Journal volume | 12 |
| Journal issue | 8 |
| Pages of publication | 2419 |
| a | 9.49 ± 0.009 Å |
| b | 16.85 ± 0.02 Å |
| c | 31.68 ± 0.03 Å |
| α | 95.77 ± 0.05° |
| β | 98.07 ± 0.05° |
| γ | 99.45 ± 0.05° |
| Cell volume | 4908 ± 9 Å3 |
| Cell temperature | 150 K |
| Ambient diffraction temperature | 150 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 | 0.0711 |
| Residual factor for significantly intense reflections | 0.046 |
| Weighted residual factors for all reflections included in the refinement | 0.0539 |
| Goodness-of-fit parameter for all reflections included in the refinement | 3.3171 |
| Diffraction radiation wavelength | 0.6883 Å |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 180455 (current) | 2016-03-26 | cif/7/21/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/21/24. |
7212498.cif |
| 93061 | 2014-01-12 | cif/ Adding structures of 7212498 via cif-deposit CGI script. |
7212498.cif |
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Users of the data should acknowledge the original authors of the
structural data.