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Information card for entry 4026152
Preview
Coordinates | 4026152.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C28 H41 N Na2 O11 |
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Calculated formula | C28 H41 N Na2 O11 |
SMILES | [Na+].[Na+].O([C@H]1CC[C@]2(C(=CC[C@@H]3[C@@H]2CC[C@]2([C@H]3CCC2=NOCC(=O)[O-])C)C1)C)[C@@H]1O[C@@H]([C@@H](O)[C@H](O)[C@H]1O)C(=O)[O-].OC |
Title of publication | Experimental and Kinetic Studies of the Escherichia coli Glucuronylsynthase: An Engineered Enzyme for the Synthesis of Glucuronide Conjugates |
Authors of publication | Shane M. Wilkinson; Morgan A. Watson; Anthony C. Willis; Malcolm D. McLeod |
Journal of publication | Journal of Organic Chemistry |
Year of publication | 2011 |
Journal volume | 76 |
Pages of publication | 1992 - 2000 |
a | 7.8722 ± 0.0003 Å |
b | 9.2049 ± 0.0003 Å |
c | 41.2201 ± 0.0015 Å |
α | 90° |
β | 90° |
γ | 90° |
Cell volume | 2986.92 ± 0.19 Å3 |
Cell temperature | 200 K |
Ambient diffraction temperature | 200 K |
Number of distinct elements | 5 |
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 | 0.0588 |
Residual factor for significantly intense reflections | 0.0368 |
Weighted residual factors for all reflections | 0.0921 |
Weighted residual factors for significantly intense reflections | 0.0868 |
Weighted residual factors for all reflections included in the refinement | 0.0921 |
Goodness-of-fit parameter for all reflections included in the refinement | 0.8203 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
For the version history of this entry, please navigate to main COD server.
The link is: https://www.crystallography.net/4026152.html
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Users of the data should acknowledge the original authors of the
structural data.