Crystallography Open Database

Information card for entry 4110918

Preview

Coordinates	4110918.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	cucurbit[8]uril/FGG peptide complex
Formula	C74 H191 N38 O47
Calculated formula	C74 H82 N38 O46.5
Title of publication	Sequence-Specific Recognition and Cooperative Dimerization of N-Terminal Aromatic Peptides in Aqueous Solution by a Synthetic Host
Authors of publication	Lisa M. Heitmann; Alexander B. Taylor; P. John Hart; Adam R. Urbach
Journal of publication	Journal of the American Chemical Society
Year of publication	2006
Journal volume	128
Pages of publication	12574 - 12581
a	13.211 ± 0.013 Å
b	22.65 ± 0.02 Å
c	38.42 ± 0.04 Å
α	90°
β	90°
γ	90°
Cell volume	11496 ± 19 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	4
Space group number	19
Hermann-Mauguin space group symbol	P 21 21 21
Hall space group symbol	P 2ac 2ab
Residual factor for all reflections	0.1308
Residual factor for significantly intense reflections	0.1277
Weighted residual factors for significantly intense reflections	0.3408
Weighted residual factors for all reflections included in the refinement	0.3472
Goodness-of-fit parameter for all reflections included in the refinement	2.306
Diffraction radiation wavelength	0.95 Å
Diffraction radiation type	synchrotron
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
178880 (current)	2016-03-22	cif/4/11/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/11/09.	4110918.cif
120077	2014-07-12	Adding DOIs to range 4/11 structures.	4110918.cif
59925	2012-06-14	cif/ Adding structures of 4110918 via cif-deposit CGI script.	4110918.cif