Crystallography Open Database

Information card for entry 4108887

Preview

Coordinates	4108887.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	ferric tren(cam)2(1,2-hopo)
Formula	C29 H39 Fe K2 N6 O14
Calculated formula	C29 H31 Fe K2 N6 O15.421
Title of publication	The Role of Electrostatics in Siderophore Recognition by the Immunoprotein Siderocalin1
Authors of publication	Trisha M. Hoette; Rebecca J. Abergel; Jide Xu; Roland K. Strong; Kenneth N. Raymond
Journal of publication	Journal of the American Chemical Society
Year of publication	2008
Journal volume	130
Pages of publication	17584 - 17592
a	18.184 ± 0.002 Å
b	12.2234 ± 0.0014 Å
c	18.256 ± 0.002 Å
α	90°
β	103.438 ± 0.002°
γ	90°
Cell volume	3946.7 ± 0.8 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 ± 2 K
Number of distinct elements	6
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.0861
Residual factor for significantly intense reflections	0.0621
Weighted residual factors for significantly intense reflections	0.1642
Weighted residual factors for all reflections included in the refinement	0.1797
Goodness-of-fit parameter for all reflections included in the refinement	1.048
Diffraction radiation wavelength	0.7749 Å
Diffraction radiation type	synchrotron
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
178834 (current)	2016-03-21	cif/4/10/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/10/88.	4108887.cif
120076	2014-07-11	Adding DOIs to range 4/10 structures.	4108887.cif
57313	2012-05-18	cif/ Adding structures of 4108887 via cif-deposit CGI script.	4108887.cif