Crystallography Open Database

Information card for entry 1548037

Preview

Coordinates	1548037.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C30 H50 N6 O9
Calculated formula	C30 H50 N6 O9
SMILES	O.O=C(N[C@@H]([C@H](O)C)C(=O)N[C@H](C(=O)N[C@@H]([C@@H](C)CC)C(=O)N[C@@H](CCC(=O)[O-])C(=O)N)CC(C)C)[C@@H]([NH3+])Cc1ccccc1
Title of publication	Formation of bacterial pilus-like nanofibres by designed minimalistic self-assembling peptides
Authors of publication	Tom Guterman; Micha Kornreich; Avigail Stern; Lihi Adler-Abramovich; Danny Porath; Roy Beck; Linda J. W. Shimon; Ehud Gazit
Journal of publication	Nature Communications
Year of publication	2016
Journal volume	7
Pages of publication	13482
a	4.9205 ± 0.001 Å
b	11.812 ± 0.002 Å
c	14.637 ± 0.003 Å
α	99.369 ± 0.007°
β	93.376 ± 0.007°
γ	98.82 ± 0.007°
Cell volume	826.4 ± 0.3 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	4
Space group number	1
Hermann-Mauguin space group symbol	P 1
Hall space group symbol	P 1
Residual factor for all reflections	0.0472
Residual factor for significantly intense reflections	0.047
Weighted residual factors for significantly intense reflections	0.1255
Weighted residual factors for all reflections included in the refinement	0.1257
Goodness-of-fit parameter for all reflections included in the refinement	1.029
Diffraction radiation wavelength	0.7 Å
Diffraction radiation type	synchrotron
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
203162 (current)	2017-11-14	cif/ Adding structures of 1548037 via cif-deposit CGI script.	1548037.cif