Crystallography Open Database

Information card for entry 4108888

Preview

Coordinates	4108888.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	Fe(III) Tren-CAM-(1,2-HOPO)2, K salt
Formula	C31 H38 Fe K N8 O11
Calculated formula	C30.998 H31.446 Fe K N7.999 O10.999
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	17.0423 ± 0.0014 Å
b	10.1042 ± 0.0008 Å
c	20.684 ± 0.0017 Å
α	90°
β	93.869 ± 0.001°
γ	90°
Cell volume	3553.6 ± 0.5 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	0.091
Residual factor for significantly intense reflections	0.0696
Weighted residual factors for significantly intense reflections	0.1868
Weighted residual factors for all reflections included in the refinement	0.2036
Goodness-of-fit parameter for all reflections included in the refinement	1.037
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.	4108888.cif
120076	2014-07-11	Adding DOIs to range 4/10 structures.	4108888.cif
57314	2012-05-18	cif/ Adding structures of 4108888 via cif-deposit CGI script.	4108888.cif