Crystallography Open Database

Information card for entry 1570832

Preview

Coordinates	1570832.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C23 H46 O17
Calculated formula	C23 H46 O17
SMILES	O(C(=O)C([C@@H](O)/C(=C/C=C/C)C)(C)C)[C@H]1[C@H](O)[C@@H](O)[C@@H](O[C@@H]1CO)OC1[C@H]([C@H](C(O)[C@@H]([C@H]1O)O)O)O.O.O.O.O
Title of publication	Discovery and heterologous biosynthesis of glycosylated polyketide luteodienoside A reveals unprecedented glucinol-mediated product offloading by a fungal carnitine <i>O</i>-acyltransferase domain.
Authors of publication	Arishi, Amr A.; Shang, Zhuo; Lacey, Ernest; Crombie, Andrew; Vuong, Daniel; Li, Hang; Bracegirdle, Joe; Turner, Peter; Lewis, William; Flematti, Gavin R.; Piggott, Andrew M.; Chooi, Yit-Heng
Journal of publication	Chemical science
Year of publication	2024
Journal volume	15
Journal issue	9
Pages of publication	3349 - 3356
a	6.60006 ± 0.00018 Å
b	7.7434 ± 0.0003 Å
c	55.33 ± 0.0013 Å
α	90°
β	90°
γ	90°
Cell volume	2827.75 ± 0.15 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	3
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	0.0562
Residual factor for significantly intense reflections	0.0528
Weighted residual factors for significantly intense reflections	0.0992
Weighted residual factors for all reflections included in the refinement	0.1013
Goodness-of-fit parameter for all reflections included in the refinement	1.146
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	1.54184 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
290138 (current)	2024-03-04	cif/ Updating files of 1570832 Original log message: Adding full bibliography for 1570832.cif.	1570832.cif
289196	2024-01-30	cif/ Adding structures of 1570832 via cif-deposit CGI script.	1570832.cif