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Information card for entry 1567198
Preview
| Coordinates | 1567198.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Chemical name | H-DPro-MePro-Glu-NH2 TFA |
|---|---|
| Formula | C18 H27 F3 N4 O7 |
| Calculated formula | C18 H27 F3 N4 O7 |
| Title of publication | Stereoselective peptide catalysis in complex environments – from river water to cell lysates |
| Authors of publication | Schnitzer, Tobias; Rackl, Jonas W.; Wennemers, Helma |
| Journal of publication | Chemical Science |
| Year of publication | 2022 |
| a | 18.0201 ± 0.0003 Å |
| b | 14.3179 ± 0.0002 Å |
| c | 18.0259 ± 0.0003 Å |
| α | 90° |
| β | 111.026 ± 0.001° |
| γ | 90° |
| Cell volume | 4341.2 ± 0.12 Å3 |
| Cell temperature | 100 ± 0.1 K |
| Ambient diffraction temperature | 100 ± 0.1 K |
| Number of distinct elements | 5 |
| Space group number | 4 |
| Hermann-Mauguin space group symbol | P 1 21 1 |
| Hall space group symbol | P 2yb |
| Residual factor for all reflections | 0.0277 |
| Residual factor for significantly intense reflections | 0.0273 |
| Weighted residual factors for significantly intense reflections | 0.0699 |
| Weighted residual factors for all reflections included in the refinement | 0.0703 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.016 |
| Diffraction radiation probe | x-ray |
| Diffraction radiation wavelength | 1.54178 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 276410 (current) | 2022-06-30 | cif/ Adding structures of 1567198 via cif-deposit CGI script. |
1567198.cif |
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