SAXSdb — 9qce

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1. Structure Basics

entry_id	9qce
deposition_date	2025-03-04
last_revision	2025-09-10
title	HA70-HA17-HA33 complex from Clostridium botulinum Serotype B1
keywords	progenitor-toxin complex, botulinum neurotoxin, hemagglutinin, TOXIN; TOXIN
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	64.75 Å
rg_electron	65.69 Å
i0	929935000.00
molecular_weight	262140.0 kDa
excluded_volume	330240 Å³
envelope_volume	513100 Å³
shell_volume	71303 Å³
envelope_diameter	237.4 Å
shell_rg	55.44 Å
envelope_rg	65.60 Å
shape_rg	65.72 Å
total_rg	65.34 Å
total_atoms	18572
n_residues	2407
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	227.6 Å
rg_real	65.64 Å
rg_real_error	3.15 Å
i0_real	9.2990e+08
i0_real_error	2.1830e+07
rg_reciprocal	63.91 Å
i0_reciprocal	927100000.0000
total_estimate	0.7951
solution_quality	GOOD a GOOD solution
n_peaks	1
r_peak_primary	47.4 Å
skewness	0.445
kurtosis	-0.571
angular_range	— – 0.1200 Å⁻¹
current_alpha	0.0000
highest_alpha	35020000.0000
n_real_points	25
gnom_version	4.1.3
quality_criteria	AN1: 0.000; Oscil: 0.721; Stabil: 0.999; Sysdev: 1.000; Positv: 1.000; Valcen: 0.717; Smooth: 0.453

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4. Crystallography & Experiment

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5. Entities & Polymer Info (3)

Entity 1 polymer

description	Hemagglutinin component HA70
formula_weight	71249.3 kDa
src_method	man
entity_count	3

Polymer

type	polypeptide(L)
strand_id	A,B,C
atom_count	18572

MNSSIKKIYNHIQEKVINYSDTIDLADGNYVVSRGDGWILSRQNQILGGSVISNGSTGIVGDLRVNDNAIPYYYPTPSFNEEYIKNNIQTVFANFTEANQIPIGFEFSKTAPSNKNLYMYLQYTYIRYEIIKVLQHEIIERAVLYVPSLGYVKSIEFNPGEKINKDFYFLTNDKCILNEQFLYKKILETTKNIPTNNIFNSKVSSTQRVLPYSNGLYVINKGDGYIRTNDKDLIGTLLIEAGSSGSIIQPRLRNTTRPLFTTSNDAKFSQQYTEERLKDAFNVQLFNTSTSLFKFVEEAPSNKNICIKAYNTYEKYELIDYQNGSIVNKAEYYLPSLGYCEVTNAPSPESEVVKTQVAEDGFIQNGPEEEIVVGVIDPSENIQEINTAISDNYTYNIPGIVNNNPFYILFTVNTTGIYKINAQNNLPSLKIYEAIGSGNRNFQSGNLCDDDIKAINYITGFDSPNAKSYLVVLLNKDKNYYIRVPQTSSNIENQIKFKREEGDLRNLMNSSVNIIDNLNSTGAHYYTRQSPDVHDYISYEFTIPGNFNNKDTSNIRLYTSYNQGIGTLFRVTETIDGYNLINIQQNLNLLNSTKSIRLLNGAIYILKVEVTELNNYNIKLHIDITN

Source

organism	Clostridium botulinum
ncbi_taxonomy_id	1491
host_organism	Escherichia coli

Entity 2 polymer

description	Hemagglutinin component HA17
formula_weight	16919.0 kDa
src_method	man
entity_count	1

Polymer

type	polypeptide(L)
strand_id	D

MSAERTFLPNGNYNIKSIFSGSLYLSPVSGSLTFSNESSANNQKWNVEYMAENRCFKISNVAEPNKYLSYDNFGFISLDSLSNRCYWFPIKIAVNTYIMLSLNKVNELDYAWDIYDTNENILSQPLLLLPNFDIYNSNQMFKLEKI

Source

organism	Clostridium botulinum
ncbi_taxonomy_id	1491
host_organism	Escherichia coli

Entity 3 polymer

description	Hemagglutinin component HA33
formula_weight	33687.6 kDa
src_method	man
entity_count	2

Polymer

type	polypeptide(L)
strand_id	E,F

MEHYSTIQNSLNDKIVTISCKANTDLFFYQVPGNGNVSLFQQTRNYLERWRIIYDSNKAAYKIKSMNIYNTNLVLTWNAPTHNISAQQDSNADNQYWLLLKDIGNNSFIIASYKNPNLVLYADTVARNLKLSTLNNSSYIKFIIEDYVISDFKNFTCRISPILAGGKVVQQVSMTNLAVNLYIWNNDLNQKWTIIYNEEKAAYQFFNKILSNGVLTWIFSDGNTVRVSSSAQNNDAQYWLINPVSDNYDRYTITNLRDKTKVLDLYGGQTADGTTIQVFNSNGGDNQIWTMSNP

Source

organism	Clostridium botulinum
ncbi_taxonomy_id	1491
host_organism	Escherichia coli

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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	2.80 Å
resolution_method	—
num_particles	524091

fit	/app/data/saxs_computation/qc/9qce/9qce.fit
pddf	/app/data/pr_computation/qc/9qce/9qce.pr.out
profile	/app/data/saxs_computation/qc/9qce/9qce.dat

HA70-HA17-HA33 complex from Clostridium botulinum Serotype B1

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

EM 3D

5. Entities & Polymer Info (3)

Entity 1 polymer

Polymer

Source

Entity 2 polymer

Polymer

Source

Entity 3 polymer

Polymer

Source

6. Citations (1)

7. Files & Curves (10)

Files (7)

Curves (3)