X-ray structure of a polyoxidovanadate/human H-ferritin adduct obtained when the protein is treated 24 h with [VIVO(acac)2]

entry_id	9rgj
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 24 h with [VIVO(acac)2]
keywords	human ferritin, vanadium, polyoxometalate, pentadecavanadate, METAL TRANSPORT; METAL TRANSPORT
method	X-RAY DIFFRACTION

rg_guinier	20.20 Å
rg_electron	19.53 Å
i0	18083800.00
molecular_weight	20574.0 kDa
excluded_volume	19204 ų
envelope_volume	31280 ų
shell_volume	14912 ų
envelope_diameter	70.5 Å
shell_rg	23.67 Å
envelope_rg	19.43 Å
shape_rg	19.03 Å
total_rg	20.70 Å
total_atoms	1488
n_residues	174
n_harmonics	20
q_range	— – 0.5000 Å−1
n_points	101
shell_type	directional
solvent_density	0.3340 e/ų
contrast_shell	0.0300 e/ų
crysol_version	4.1.3

dmax	69.6 Å
rg_real	20.39 Å
rg_real_error	0.57 Å
i0_real	1.8080e+07
i0_real_error	2.4090e+05
rg_reciprocal	20.36 Å
i0_reciprocal	18080000.0000
total_estimate	0.6664
solution_quality	REASONABLE a REASONABLE solution
n_peaks	2
r_peak_primary	18.9 Å
skewness	0.566
kurtosis	-0.255
angular_range	— – 0.3950 Å−1
current_alpha	0.0000
highest_alpha	1462000.0000
n_real_points	71
gnom_version	4.1.3
quality_criteria	AN1: 0.000; Oscil: 0.712; Stabil: 1.000; Sysdev: 0.260; Positv: 1.000; Valcen: 0.759; Smooth: 0.983

Unit Cell

length_a	183.710 Å
length_b	183.710 Å
length_c	183.710 Å
angle_alpha	90.00 °
angle_beta	90.00 °
angle_gamma	90.00 °
z_pdb	96

Symmetry

space_group	F 4 3 2
int_tables_number	209
crystal_system	—

Refinement

resolution	1.498 Å
resolution_low	92.024 Å
r_factor	—
r_work	0.1630
r_free	0.1958

Diffraction

temperature

100.0 K

Files (7)

• pr_distribution /app/data/pr_computation/rg/9rgj/pr_distribution.json
• pr_output /app/data/pr_computation/rg/9rgj/9rgj.pr.out
• pr_plot /app/data/visualization/pr_computation/rg/9rgj/9rgj_pr_distribution.png
• saxs_curve_dat /app/data/saxs_computation/rg/9rgj/9rgj.dat
• saxs_fit /app/data/saxs_computation/rg/9rgj/9rgj.fit
• saxs_log /app/data/saxs_computation/rg/9rgj/9rgj.log
• saxs_plot /app/data/visualization/saxs_computation/rg/9rgj/9rgj_saxs_profile.png

Curves (3)

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