Crystallography Open Database

Information card for entry 1552284

Preview

Coordinates	1552284.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C112 H108 Cl4 N14 O22 Zn2
Calculated formula	C112 H108 Cl4 N14 O22 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	12.3149 ± 0.0004 Å
b	40.4691 ± 0.0004 Å
c	12.3281 ± 0.0002 Å
α	90°
β	117.839 ± 0.003°
γ	90°
Cell volume	5432.9 ± 0.3 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 ± 2 K
Number of distinct elements	6
Space group number	4
Hermann-Mauguin space group symbol	P 1 21 1
Hall space group symbol	P 2yb
Residual factor for all reflections	0.0489
Residual factor for significantly intense reflections	0.0464
Weighted residual factors for significantly intense reflections	0.1248
Weighted residual factors for all reflections included in the refinement	0.1276
Goodness-of-fit parameter for all reflections included in the refinement	1.023
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.	1552284.cif