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9x1g

Crystal structure of Frog M-ferritin WT_M161Q_L165D_K168E_H169D mutant

Method: X-RAY DIFFRACTION D_max: 70.3 Å Quality: GOOD

SAXS Profile

P(r) Distribution

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1. Structure Basics

entry_id	9x1g
deposition_date	2025-10-02
last_revision	2026-04-15
title	Crystal structure of Frog M-ferritin WT_M161Q_L165D_K168E_H169D mutant
keywords	Ferritin, Metal binding, storage and transport, 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	19.31 Å
rg_electron	18.34 Å
i0	9021010.00
molecular_weight	20879.0 kDa
excluded_volume	25456 Å³
envelope_volume	30563 Å³
shell_volume	14801 Å³
envelope_diameter	69.5 Å
shell_rg	23.47 Å
envelope_rg	18.87 Å
shape_rg	18.29 Å
total_rg	19.27 Å
total_atoms	1447
n_residues	173
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	70.3 Å
rg_real	19.43 Å
rg_real_error	0.61 Å
i0_real	9.0210e+06
i0_real_error	1.1450e+05
rg_reciprocal	19.41 Å
i0_reciprocal	9021000.0000
total_estimate	0.8057
solution_quality	GOOD a GOOD solution
n_peaks	2
r_peak_primary	19.8 Å
skewness	0.522
kurtosis	-0.201
angular_range	— – 0.4100 Å⁻¹
current_alpha	0.0000
highest_alpha	2145000.0000
n_real_points	72
gnom_version	4.1.3
quality_criteria	AN1: 0.000; Oscil: 0.600; Stabil: 1.000; Sysdev: 1.000; Positv: 1.000; Valcen: 0.677; Smooth: 0.993

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4. Crystallography & Experiment

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5. Entities & Polymer Info (4)

Entity 1 polymer

description	Ferritin, middle subunit
formula_weight	20293.6 kDa
ec_number	1.16.3.1
mutation	M161Q,L165D,K168E,H169D
src_method	man
entity_count	1

Polymer

type	polypeptide(L)
strand_id	A
atom_count	1799

VSQVRQNYHSDCEAAVNRMLNLELYASYTYSSMYAFFDRDDVALHNVAEFFKEHSHEEREHAEKFMKYQNKRGGRVVLQDIKKPERDEWGNTLEAMQAALQLEKTVNQALLDLHKLATDKVDPHLCDFLESEYLEEQVKDIKRIGDFITNLKRLGLPENGQGEYDFDEDSVKE

Source

organism	Aquarana catesbeiana
common_name	American bullfrog
ncbi_taxonomy_id	8400
host_organism	Escherichia coli

Entity 2 non-polymer

description	MAGNESIUM ION
formula_weight	24.3 kDa
src_method	syn
entity_count	9

Entity 3 non-polymer

description	CHLORIDE ION
formula_weight	35.5 kDa
src_method	syn
entity_count	12

Entity 4 water

description	water
formula_weight	18.0 kDa
src_method	nat
entity_count	217

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6. Citations (1)

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length_a	183.850 Å
length_b	183.850 Å
length_c	183.850 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	1.500 Å
resolution_low	46.010 Å
r_factor	—
r_work	0.1330
r_free	0.1540

fit	/app/data/saxs_computation/x1/9x1g/9x1g.fit
pddf	/app/data/pr_computation/x1/9x1g/9x1g.pr.out
profile	/app/data/saxs_computation/x1/9x1g/9x1g.dat

Crystal structure of Frog M-ferritin WT_M161Q_L165D_K168E_H169D mutant

SAXS Profile

P(r) Distribution

1. Structure Basics

Download Data

2. SAXS Parameters (CRYSOL)

3. P(r) Analysis (GNOM)

4. Crystallography & Experiment

Unit Cell

Symmetry

Refinement

Diffraction