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9rgh

X-ray structure of a polyoxidovanadate/human H-ferritin adduct obtained when the protein is treated overnight with [VIVO(acac)2]

Method: X-RAY DIFFRACTION D_max: 68.6 Å Quality: GOOD

SAXS Profile

P(r) Distribution

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1. Structure Basics

entry_id	9rgh
deposition_date	2025-06-06
last_revision	2025-12-03
title	X-ray structure of a polyoxidovanadate/human H-ferritin adduct obtained when the protein is treated overnight with [VIVO(acac)2]
keywords	human ferritin, vanadium, polyoxometalate, pentadecavanadate, METAL TRANSPORT; METAL TRANSPORT
method	X-RAY DIFFRACTION

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Download Data

SAXS curve (.dat) P(r) distribution (.pr.out) Structure (CIF)

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2. SAXS Parameters (CRYSOL)

rg_guinier	20.18 Å
rg_electron	19.51 Å
i0	17954400.00
molecular_weight	20538.0 kDa
excluded_volume	19181 Å³
envelope_volume	31225 Å³
shell_volume	14896 Å³
envelope_diameter	70.4 Å
shell_rg	23.63 Å
envelope_rg	19.47 Å
shape_rg	19.01 Å
total_rg	20.68 Å
total_atoms	1487
n_residues	174
n_harmonics	20
q_range	— – 0.5000 Å⁻¹
n_points	101
shell_type	directional
solvent_density	0.3340 e/Å³
contrast_shell	0.0300 e/Å³
crysol_version	4.1.3

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3. P(r) Analysis (GNOM)

dmax	68.6 Å
rg_real	20.38 Å
rg_real_error	0.49 Å
i0_real	1.7950e+07
i0_real_error	2.3050e+05
rg_reciprocal	20.34 Å
i0_reciprocal	17950000.0000
total_estimate	0.8418
solution_quality	GOOD a GOOD solution
n_peaks	2
r_peak_primary	18.6 Å
skewness	0.571
kurtosis	-0.243
angular_range	— – 0.3950 Å⁻¹
current_alpha	0.0000
highest_alpha	1440000.0000
n_real_points	71
gnom_version	4.1.3
quality_criteria	AN1: 0.000; Oscil: 0.735; Stabil: 1.000; Sysdev: 1.000; Positv: 1.000; Valcen: 0.785; Smooth: 0.948

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4. Crystallography & Experiment

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5. Entities & Polymer Info (5)

Entity 1 polymer

description	Ferritin heavy chain
formula_weight	21124.5 kDa
ec_number	1.16.3.1
src_method	man
entity_count	1

Polymer

type	polypeptide(L)
strand_id	AAA
atom_count	1864

TTASTSQVRQNYHQDSEAAINRQINLELYASYVYLSMSYYFDRDDVALKNFAKYFLHQSHEEREHAEKLMKLQNQRGGRIFLQDIKKPDCDDWESGLNAMECALHLEKNVNQSLLELHKLATDKNDPHLCDFIETHYLNEQVKAIKELGDHVTNLRKMGAPESGLAEYLFDKHTLGDSDNES

Source

organism	Homo sapiens
common_name	human
ncbi_taxonomy_id	9606
host_organism	Escherichia coli BL21(DE3)

Entity 2 non-polymer

description	CHLORIDE ION
formula_weight	35.5 kDa
src_method	syn
entity_count	6

Entity 3 non-polymer

description	MAGNESIUM ION
formula_weight	24.3 kDa
src_method	syn
entity_count	6

Entity 4 non-polymer

description	Polyoxidovanadate complex
formula_weight	1340.1 kDa
src_method	syn
entity_count	1

Entity 5 water

description	water
formula_weight	18.0 kDa
src_method	nat
entity_count	268

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6. Citations (1)

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length_a	182.990 Å
length_b	182.990 Å
length_c	182.990 Å
angle_alpha	90.00 °
angle_beta	90.00 °
angle_gamma	90.00 °
z_pdb	96

space_group	F 4 3 2
int_tables_number	209
crystal_system	—

resolution	1.383 Å
resolution_low	105.649 Å
r_factor	—
r_work	0.1609
r_free	0.1767

fit	/app/data/saxs_computation/rg/9rgh/9rgh.fit
pddf	/app/data/pr_computation/rg/9rgh/9rgh.pr.out
profile	/app/data/saxs_computation/rg/9rgh/9rgh.dat