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Information card for entry 2010528
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Coordinates | 2010528.cif |
---|---|
Structure factors | 2010528.hkl |
Original IUCr paper | HTML |
Common name | Putidin |
---|---|
Chemical name | S-β-hydroxydecanoyl-D-Leu-D-Asp-D-allo-Thr-D-Leu-D-Leu-D-Ser-L-Leu- D-Gln-L-Leu-L-Ile-L-Glu:ethylacetate:dihydrate |
Formula | C71 H127 N12 O24 |
Calculated formula | C71 H127 N12 O24 |
SMILES | CCOC(=O)C.CCCCCCC[C@H](CC(N[C@@H](C(N[C@@H](C(N[C@H]1C(=O)N[C@H](CC(C)C)C(=O)N[C@H](CC(C)C)C(=O)N[C@H](CO)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C(N[C@H](C(N[C@H](C(N[C@H](C(O[C@@H]1C)=O)CCC(=O)O)=O)[C@H](CC)C)=O)CC(C)C)=O)CCC(=O)N)=O)CC(=O)O)=O)CC(C)C)=O)O.O.O |
Title of publication | Cyclic lipoundecapeptide tensin from <i>Pseudomonas fluorescens</i> strain 96.578 |
Authors of publication | Henriksen, Anette; Anthoni, Uffe; Nielsen, Tommy H.; Sørensen, Jan; Christophersen, Carsten; Gajhede, Michael |
Journal of publication | Acta Crystallographica Section C |
Year of publication | 2000 |
Journal volume | 56 |
Journal issue | 1 |
Pages of publication | 113 - 115 |
a | 13.245 ± 0.01 Å |
b | 21.984 ± 0.01 Å |
c | 30.732 ± 0.01 Å |
α | 90° |
β | 90° |
γ | 90° |
Cell volume | 8948 ± 8 Å3 |
Cell temperature | 122 ± 0.2 K |
Ambient diffraction temperature | 122 ± 0.2 K |
Number of distinct elements | 4 |
Space group number | 19 |
Hermann-Mauguin space group symbol | P 21 21 21 |
Hall space group symbol | P 2ac 2ab |
Residual factor for all reflections | 0.0975 |
Residual factor for significantly intense reflections | 0.0704 |
Weighted residual factors for all reflections included in the refinement | 0.205 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.035 |
Diffraction radiation wavelength | 1.5418 Å |
Diffraction radiation type | CuKα |
Has coordinates | Yes |
Has disorder | Yes |
Has Fobs | Yes |
For the version history of this entry, please navigate to main COD server.
The link is: https://www.crystallography.net/2010528.html
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Users of the data should acknowledge the original authors of the
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