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Information card for entry 2019361
Preview
| Coordinates | 2019361.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Common name | Gramicidine S |
|---|---|
| Formula | C188 H282 F12 N36 O58 |
| Calculated formula | C188 H282 F12 N36 O58 |
| Title of publication | Double-stranded helical twisted β-sheet channels in crystals of gramicidin S grown in the presence of trifluoroacetic and hydrochloric acids |
| Authors of publication | Llamas-Saiz, Antonio L.; Grotenbreg, Gijsbert M.; Overhand, Mark; van Raaij, Mark J. |
| Journal of publication | Acta Crystallographica Section D Biological Crystallography |
| Year of publication | 2007 |
| Journal volume | 63 |
| Journal issue | 3 |
| Pages of publication | 401 - 407 |
| a | 41.4764 ± 0.0004 Å |
| b | 41.4764 ± 0.0004 Å |
| c | 36.2358 ± 0.0005 Å |
| α | 90° |
| β | 90° |
| γ | 120° |
| Cell volume | 53984.7 ± 1 Å3 |
| Cell temperature | 100 ± 0.1 K |
| Ambient diffraction temperature | 100 ± 0.1 K |
| Number of distinct elements | 5 |
| Space group number | 155 |
| Hermann-Mauguin space group symbol | R 3 2 :H |
| Hall space group symbol | R 3 2" |
| Residual factor for all reflections | 0.1525 |
| Residual factor for significantly intense reflections | 0.1461 |
| Weighted residual factors for significantly intense reflections | 0.3849 |
| Weighted residual factors for all reflections included in the refinement | 0.395 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.864 |
| Diffraction radiation wavelength | 1.5418 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 176432 (current) | 2016-02-14 | cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries. |
2019361.cif |
| 132410 | 2015-02-25 | cod/ (robertas@burundukas) Replaced zero-length value of the tag '_chemical_name_systematic' with '?'. codsql 'select file, chemname from data \ where length(chemname) = 0' -NB \ | perl -ne 'print $1."\n" if /\b(\d{7})\s*$/' \ | codid2file \ | xargs perl -0777 -i -pe 's/\b_chemical_name_systematic \K \s*? ( \n ; \s*? \n ; | '\'' \s* '\'' \s*? ) (?=\n) /" " x8 . "?"/ixmse' |
2019361.cif |
| 99293 | 2014-01-30 | cif/ Adding structures of 2019361 via cif-deposit CGI script. |
2019361.cif |
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Users of the data should acknowledge the original authors of the
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