Crystallography Open Database

Information card for entry 1557271

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Coordinates	1557271.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C108 H154 N18 O27
Calculated formula	C108 H154 N18 O27
Title of publication	Antimycobacterial Rufomycin Analogues from <i>Streptomyces atratus</i> Strain MJM3502.
Authors of publication	Zhou, Bin; Shetye, Gauri; Yu, Yang; Santarsiero, Bernard D.; Klein, Larry L.; Abad-Zapatero, Cele; Wolf, Nina M.; Cheng, Jinhua; Jin, Yingyu; Lee, Hanki; Suh, Joo-Won; Lee, Hyun; Bisson, Jonathan; McAlpine, James B.; Chen, Shao-Nong; Cho, Sang-Hyun; Franzblau, Scott G.; Pauli, Guido F.
Journal of publication	Journal of natural products
Year of publication	2020
a	13.959 ± 0.001 Å
b	25.347 ± 0.002 Å
c	18.606 ± 0.002 Å
α	90°
β	109.574 ± 0.002°
γ	90°
Cell volume	6202.7 ± 0.9 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	4
Space group number	4
Hermann-Mauguin space group symbol	P 1 21 1
Hall space group symbol	P 2yb
Residual factor for all reflections	0.1246
Residual factor for significantly intense reflections	0.1163
Weighted residual factors for significantly intense reflections	0.3449
Weighted residual factors for all reflections included in the refinement	0.3632
Goodness-of-fit parameter for all reflections included in the refinement	1.634
Diffraction radiation wavelength	0.68877 Å
Diffraction radiation type	synchrotron
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
247985 (current)	2020-02-08	cif/ Adding structures of 1557271 via cif-deposit CGI script.	1557271.cif