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9szw

Human carboxyhemoglobin bound to full-length Staphylococcus aureus IsdH - IsdH:Hbdim complex

Method: ELECTRON MICROSCOPY D_max: 97.8 Å Quality: EXCELLENT

SAXS Profile

P(r) Distribution

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1. Structure Basics

entry_id	9szw
deposition_date	2025-10-16
title	Human carboxyhemoglobin bound to full-length Staphylococcus aureus IsdH - IsdH:Hbdim complex
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	31.20 Å
rg_electron	30.16 Å
i0	115525000.00
molecular_weight	86702.0 kDa
excluded_volume	109210 Å³
envelope_volume	141330 Å³
shell_volume	39230 Å³
envelope_diameter	97.5 Å
shell_rg	37.28 Å
envelope_rg	30.02 Å
shape_rg	30.15 Å
total_rg	30.88 Å
total_atoms	6134
n_residues	757
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	97.8 Å
rg_real	31.04 Å
rg_real_error	0.72 Å
i0_real	1.1550e+08
i0_real_error	1.7640e+06
rg_reciprocal	31.11 Å
i0_reciprocal	115500000.0000
total_estimate	0.9082
solution_quality	EXCELLENT a EXCELLENT solution
n_peaks	2
r_peak_primary	40.3 Å
skewness	0.122
kurtosis	-0.602
angular_range	— – 0.2550 Å⁻¹
current_alpha	0.0000
highest_alpha	23440000.0000
n_real_points	52
gnom_version	4.1.3
quality_criteria	AN1: 0.000; Oscil: 0.946; Stabil: 1.000; Sysdev: 1.000; Positv: 1.000; Valcen: 1.000; Smooth: 0.964

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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	6134

LSPADKTNVKAAWGKVGAHAGEYGAEALERMFLSFPTTKTYFPHFDLSHGSAQVKGHGKKVADALTNAVAHVDDMPNALSALSDLHAHKLRVDPVNFKLLSHCLLVTLAAHLPAEFTPAVHASLDKFLASVSTVLTSKYR

Entity 2 polymer

description	Hemoglobin subunit beta
formula_weight	15791.1 kDa
src_method	nat
entity_count	1

Polymer

type	polypeptide(L)
strand_id	B

HLTPEEKSAVTALWGKVNVDEVGGEALGRLLVVYPWTQRFFESFGDLSTPDAVMGNPKVKAHGKKVLGAFSDGLAHLDNLKGTFATLSELHCDKLHVDPENFRLLGNVLVCVLAHHFGKEFTPPVQAAYQKVVAGVANALAHKYH

Entity 3 polymer

description	Iron-regulated surface determinant protein H
formula_weight	70354.8 kDa
src_method	man
entity_count	1

Polymer

type	polypeptide(L)
strand_id	C

MGSSHHHHHHSSGLVPRGSHADESLKDAIKDPALENKEHDIGPREQVNFQLLDKNNETQYYHFFSIKDPADVYYTKKKAEVELDINTASTWKKFEVYENNQKLPVRLVSYSPVPEDHAYIRFPVSDGTQELKIVSSTQIDDGEETNYDYTKLVFAKPIYNDPSLVKSDTNDAVVTNDQSSSDASNQTNTNTSNQNTSTINNANNQPQATTNMSQPAQPKSSANADQASSQPAHETNSNGNTNDKTNESSNQSDVNQQYPPADESLQDAIKNPAIIDKEHTADNWRPIDFQMKNDKGERQFYHYASTVEPATVIFTKTGPIIELGLKTASTWKKFEVYEGDKKLPVELVSYDSDKDYAYIRFPVSNGTREVKIVSSIEYGENIHEDYDYTLMVFAQPITNNPDDYVDEETYNLQKLLAPYHKAKTLERQVYELEKLQEKLPEKYKAEYKKKLDQTRVELADQVKSAVTEFENVTPTNDQLTDVQEAHFVVFESEENSESVMDGFVEHPFYTATLNGQKYVVMKTKDDSYWKDLIVEGKRVTTVSKDPKNNSRTLIFPYIPDKAVYNAIVKVVVANIGYEGQYHVRIINQDINTKDDDTSQNENLYFQSAWSHPQFEK

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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resolution	3.14 Å
resolution_method	—
num_particles	66502

fit	/app/data/saxs_computation/sz/9szw/9szw.fit
pddf	/app/data/pr_computation/sz/9szw/9szw.pr.out
profile	/app/data/saxs_computation/sz/9szw/9szw.dat

Human carboxyhemoglobin bound to full-length Staphylococcus aureus IsdH - IsdH:Hbdim complex

SAXS Profile

P(r) Distribution

1. Structure Basics

Download Data

2. SAXS Parameters (CRYSOL)

3. P(r) Analysis (GNOM)

4. Crystallography & Experiment

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)