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9s4i

Human carboxyhemoglobin bound to Staphylococcus aureus IsdH-N2N3 - 2IsdH:Hbdim complex - 3DVA component 0 left tail

Method: ELECTRON MICROSCOPY D_max: 116.4 Å Quality: REASONABLE

SAXS Profile

P(r) Distribution

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1. Structure Basics

entry_id	9s4i
deposition_date	2025-07-28
title	Human carboxyhemoglobin bound to Staphylococcus aureus IsdH-N2N3 - 2IsdH:Hbdim complex - 3DVA component 0 left tail
keywords	Iron acquisition, Hemophore, Hemoglobin, NEAT domain, METAL TRANSPORT; METAL TRANSPORT
method	ELECTRON MICROSCOPY

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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	35.72 Å
rg_electron	35.32 Å
i0	128134000.00
molecular_weight	93123.0 kDa
excluded_volume	117460 Å³
envelope_volume	161590 Å³
shell_volume	39609 Å³
envelope_diameter	120.6 Å
shell_rg	39.96 Å
envelope_rg	35.41 Å
shape_rg	35.30 Å
total_rg	35.75 Å
total_atoms	6586
n_residues	811
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	116.4 Å
rg_real	35.79 Å
rg_real_error	1.03 Å
i0_real	1.2810e+08
i0_real_error	2.3610e+06
rg_reciprocal	35.75 Å
i0_reciprocal	128100000.0000
total_estimate	0.6181
solution_quality	REASONABLE a REASONABLE solution
n_peaks	1
r_peak_primary	37.0 Å
skewness	0.336
kurtosis	-0.540
angular_range	— – 0.2200 Å⁻¹
current_alpha	0.0000
highest_alpha	21440000.0000
n_real_points	45
gnom_version	4.1.3
quality_criteria	AN1: 0.000; Oscil: 0.926; Stabil: 1.000; Sysdev: 0.101; Positv: 1.000; Valcen: 0.950; Smooth: 0.000

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4. Crystallography & Experiment

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5. Entities & Polymer Info (4)

Entity 1 polymer

description	Hemoglobin subunit alpha
formula_weight	15051.2 kDa
src_method	nat
entity_count	1

Polymer

type	polypeptide(L)
strand_id	A
atom_count	6586

LSPADKTNVKAAWGKVGAHAGEYGAEALERMFLSFPTTKTYFPHFDLSHGSAQVKGHGKKVADALTNAVAHVDDMPNALSALSDLHAHKLRVDPVNFKLLSHCLLVTLAAHLPAEFTPAVHASLDKFLASVSTVLTSKYR

Entity 2 polymer

description	Hemoglobin subunit beta
formula_weight	15890.2 kDa
src_method	nat
entity_count	1

Polymer

type	polypeptide(L)
strand_id	B

VHLTPEEKSAVTALWGKVNVDEVGGEALGRLLVVYPWTQRFFESFGDLSTPDAVMGNPKVKAHGKKVLGAFSDGLAHLDNLKGTFATLSELHCDKLHVDPENFRLLGNVLVCVLAHHFGKEFTPPVQAAYQKVVAGVANALAHKYH

Entity 3 polymer

description	Iron-regulated surface determinant protein H
formula_weight	41500.1 kDa
src_method	man
entity_count	2

Polymer

type	polypeptide(L)
strand_id	C,D

MADESLQDAIKNPAIIDKEHTADNWRPIDFQMKNDKGERQFYHYASTVEPATVIFTKTGPIIELGLKTASTWKKFEVYEGDKKLPVELVSYDSDKDYAYIRFPVSNGTREVKIVSSIEYGENIHEDYDYTLMVFAQPITNNPDDYVDEETYNLQKLLAPYHKAKTLERQVYELEKLQEKLPEKYKAEYKKKLDQTRVELADQVKSAVTEFENVTPTNDQLTDVQEAHFVVFESEENSESVMDGFVEHPFYTATLNGQKYVVMKTKDDSYWKDLIVEGKRVTTVSKDPKNNSRTLIFPYIPDKAVYNAIVKVVVANIGYEGQYHVRIINQDINTKDDDTSQNENLYFQSAWSHPQFEK

Source

organism	Staphylococcus aureus
ncbi_taxonomy_id	1280
host_organism	Escherichia coli

Entity 4 non-polymer

description	PROTOPORPHYRIN IX CONTAINING FE
formula_weight	616.5 kDa
src_method	syn
entity_count	2

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6. Citations (1)

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length_a	1.000 Å
length_b	1.000 Å
length_c	1.000 Å
angle_alpha	90.00 °
angle_beta	90.00 °
angle_gamma	90.00 °
z_pdb	—

space_group	P 1
int_tables_number	1
crystal_system	—

resolution	4.000 Å
resolution_low	— Å
r_factor	—
r_work	—
r_free	—

resolution	4.00 Å
resolution_method	—
num_particles	8400

fit	/app/data/saxs_computation/s4/9s4i/9s4i.fit
pddf	/app/data/pr_computation/s4/9s4i/9s4i.pr.out
profile	/app/data/saxs_computation/s4/9s4i/9s4i.dat

Human carboxyhemoglobin bound to Staphylococcus aureus IsdH-N2N3 - 2IsdH:Hbdim complex - 3DVA component 0 left tail

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

EM 3D

5. Entities & Polymer Info (4)

Entity 1 polymer

Polymer

Entity 2 polymer

Polymer

Entity 3 polymer

Polymer

Source

Entity 4 non-polymer

6. Citations (1)

7. Files & Curves (10)

Files (7)

Curves (3)