Crystallography Open Database

Information card for entry 7020886

7020885 << 7020886 >> 7020887

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Coordinates	7020886.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C37 H51 Mo N5 O S3
Calculated formula	C37 H51 Mo N5 O S3
Title of publication	Modelling the reduced xanthine oxidase in active sulfo and inactive desulfo forms.
Authors of publication	Mitra, Joyee; Sarkar, Sabyasachi
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2013
Journal volume	42
Journal issue	9
Pages of publication	3050 - 3058
a	9.436 ± 0.005 Å
b	11.629 ± 0.005 Å
c	19.4 ± 0.005 Å
α	79.233 ± 0.005°
β	75.964 ± 0.005°
γ	83.538 ± 0.005°
Cell volume	2023.8 ± 1.5 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	6
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.1054
Residual factor for significantly intense reflections	0.0686
Weighted residual factors for significantly intense reflections	0.1808
Weighted residual factors for all reflections included in the refinement	0.2308
Goodness-of-fit parameter for all reflections included in the refinement	0.96
Diffraction radiation wavelength	0.71069 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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