Crystallography Open Database

Information card for entry 1552286

Preview

Coordinates	1552286.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C137.5 H129.25 Cl4 N17.75 O23 S3 Zn2
Calculated formula	C137.5 H129.25 Cl4 N17.75 O23 S3 Zn2
Title of publication	Metallohelices that kill Gram-negative pathogens using intracellular antimicrobial peptide pathways
Authors of publication	Simpson, Daniel; Hapeshi, Alexia; Rogers, Nicola J.; Brabec, Viktor; Clarkson, Guy J.; Fox, David; Hrabina, Ondrej; Kay, Gemma; King, Andrew; Malina, Jaroslav; Millard, Andrew; Moat, John; Roper, David I.; Song, Hualong; Waterfield, Nick; Scott, Peter
Journal of publication	Chemical Science
Year of publication	2019
a	38.9929 ± 0.0005 Å
b	22.5983 ± 0.0002 Å
c	36.9118 ± 0.0006 Å
α	90°
β	104.464 ± 0.001°
γ	90°
Cell volume	31494.8 ± 0.7 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	7
Space group number	15
Hermann-Mauguin space group symbol	C 1 2/c 1
Hall space group symbol	-C 2yc
Residual factor for all reflections	0.1052
Residual factor for significantly intense reflections	0.0892
Weighted residual factors for significantly intense reflections	0.2612
Weighted residual factors for all reflections included in the refinement	0.28
Goodness-of-fit parameter for all reflections included in the refinement	1.013
Diffraction radiation probe	x-ray
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
218024 (current)	2019-09-06	cif/ Adding structures of 1552284, 1552285, 1552286 via cif-deposit CGI script.	1552286.cif