Crystallography Open Database

Information card for entry 7123231

Preview

Coordinates	7123231.cif
Original paper (by DOI)	HTML

Structure parameters

Chemical name	mtm-B-Zn2+
Formula	C416 H544 B8 O257 Zn4
Calculated formula	C416 H544 B8 O257 Zn4
Title of publication	How mithramycin stereochemistry dictates its structure and DNA binding function.
Authors of publication	Hou, Caixia; Rohr, Jürgen; Parkin, Sean; Tsodikov, Oleg V.
Journal of publication	MedChemComm
Year of publication	2019
Journal volume	10
Journal issue	5
Pages of publication	735 - 741
a	18.7382 ± 0.0005 Å
b	28.3032 ± 0.0008 Å
c	31.3664 ± 0.0007 Å
α	90°
β	90°
γ	90°
Cell volume	16635.2 ± 0.7 Å³
Cell temperature	90 ± 0.2 K
Ambient diffraction temperature	90 ± 0.2 K
Number of distinct elements	5
Space group number	23
Hermann-Mauguin space group symbol	I 2 2 2
Hall space group symbol	I 2 2
Residual factor for all reflections	0.0693
Residual factor for significantly intense reflections	0.0508
Weighted residual factors for significantly intense reflections	0.1413
Weighted residual factors for all reflections included in the refinement	0.159
Goodness-of-fit parameter for all reflections included in the refinement	1.052
Diffraction radiation wavelength	1.54178 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
224645 (current)	2019-11-08	cif/ Updating files of 7123230, 7123231 Original log message: Adding full bibliography for 7123230--7123231.cif.	7123231.cif
214412	2019-03-29	cif/ Adding structures of 7123230, 7123231 via cif-deposit CGI script.	7123231.cif