Crystallography Open Database

Information card for entry 1552285

Preview

Coordinates	1552285.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C257 H223.5 Cl6 N26.5 O42 Zn4
Calculated formula	C257 H223.5 Cl6 N26.5 O42 Zn4
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	19.4539 ± 0.0005 Å
b	23.9678 ± 0.0009 Å
c	30.5016 ± 0.0015 Å
α	90.746 ± 0.003°
β	99.035 ± 0.003°
γ	90.078 ± 0.002°
Cell volume	14044.2 ± 0.9 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	6
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.1901
Residual factor for significantly intense reflections	0.1034
Weighted residual factors for significantly intense reflections	0.246
Weighted residual factors for all reflections included in the refinement	0.3181
Goodness-of-fit parameter for all reflections included in the refinement	0.927
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.	1552285.cif