SAXSdb — 9qco

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1. Structure Basics

entry_id	9qco
deposition_date	2025-03-04
last_revision	2025-09-10
title	NTNH-HA70 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	51.78 Å
rg_electron	51.23 Å
i0	1030920000.00
molecular_weight	275360.0 kDa
excluded_volume	346790 Å³
envelope_volume	510930 Å³
shell_volume	83753 Å³
envelope_diameter	180.3 Å
shell_rg	53.73 Å
envelope_rg	51.10 Å
shape_rg	51.28 Å
total_rg	51.16 Å
total_atoms	19569
n_residues	2716
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	169.8 Å
rg_real	51.69 Å
rg_real_error	1.55 Å
i0_real	1.0310e+09
i0_real_error	1.9950e+07
rg_reciprocal	51.83 Å
i0_reciprocal	1031000000.0000
total_estimate	0.8928
solution_quality	GOOD a GOOD solution
n_peaks	2
r_peak_primary	67.9 Å
skewness	0.185
kurtosis	-0.501
angular_range	— – 0.1500 Å⁻¹
current_alpha	0.0000
highest_alpha	68620000.0000
n_real_points	31
gnom_version	4.1.3
quality_criteria	AN1: 0.000; Oscil: 0.924; Stabil: 1.000; Sysdev: 1.000; Positv: 1.000; Valcen: 0.994; Smooth: 0.838

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4. Crystallography & Experiment

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5. Entities & Polymer Info (2)

Entity 1 polymer

description	Botulinum neurotoxin type B1, nontoxic-nonhemagglutinin component, NTNH
formula_weight	138876.8 kDa
ec_number	3.4.24.69
src_method	man
entity_count	1

Polymer

type	polypeptide(L)
strand_id	A
atom_count	19569

MNINDNLSINSPVDNKNVVVVRARKTDTVFKAFKVAPNIWVAPERYYGESLSIDEEYKVDGGIYDSNFLSQDSEKDKFLQAIITLLKRINSTNAGEKLLSLISTAIPFPYGYIGGGYYAPNMITFGSAPKSNKKLNSLISSTIPFPYAGYRETNYLSSEDNKSFYASNIVIFGPGANIVENNTVFYKKEDAENGMGTMTEIWFQPFLTYKYDEFYIDPAIELIKCLIKSLYFLYGIKPSDDLVIPYRLRSELENIEYSQLNIVDLLVSGGIDPKFINTDPYWFTDNYFSNAKKVFEDHRNIYETQIEGNNAIGNDIKLRLKQKFRININDIWELNLNYFSKEFSIMMPDRFNNALKHFYRKQYYKIDYPENYSINGFVNGQINVQLSLSDRNQDIINKPEEIINLLNGNNVSLMRSNIYGDGLKSTVDDFYSNYKIPYNRAYEYHFNNSNDSSLDNVNIGVIDNIPEIIDVNPYKENCDKFSPVQKITSTREINTNIPWPINYLQAQNTNNEKFSLSSDFVEVVSSKDKSLVYSFLSNVMFYLDSIKDNSPIDTDKKYYLWLREIFRNYSFDITATQEINTDCGINKVVTWFGKALNILNTSDSFVEEFQNLGPISLINKKENLSMPIIEIYGIPNDMLGLPLNDLNEKLFNIYLKNILYFKKVYFNFLDQWWTEYYSQYFDLICMAKQSILAQEKLIKQIIQNKLQDLFKADISMDKLNLMNLATEKTFIDLSNESQIAINNINDFLNKSAICVFDTNIYPKFISFMEQCINSVNSNVTAFIQKCTNITEDEKLQLIKLNTFMNIDFEFFDIQSIKDLITSETDLIKEEKESDYNLFLFTLQEDNNKVIEDISGKNTLVKYSDSISLVYGVNGDALYLKEPDESVSFSNKAFENGLTNSFSICFWLRNLGEDIITSKLIENKADNCGWEIYFENNGLVFSIVDCNGNEENIYLSDVISKNWYYISISIDRLRNQLLIFINDKLIANQSIEQILNIYSSNTISLVNENNPIYIEGLSILNRSITSEEVVNNYFSYLNNSYIRDISGERLEYNKTYELYNYVFPENSLYEVTENNNIYLSIKDTNNLNIQGAKFKLINIDANKQYVQKWDEGVVCLLGDEEKYVDISSENNRIQLVNSKDTAKRIIFNNDIFMPNCLTFAYNNKYLSLSLRDRNYNWMICNNNDNIPKAAHLWALKGI

Source

organism	Clostridium botulinum
ncbi_taxonomy_id	1491
host_organism	Escherichia coli

Entity 2 polymer

description	Hemagglutinin component HA70
formula_weight	71249.3 kDa
src_method	man
entity_count	3

Polymer

type	polypeptide(L)
strand_id	B,C,D

MNSSIKKIYNHIQEKVINYSDTIDLADGNYVVSRGDGWILSRQNQILGGSVISNGSTGIVGDLRVNDNAIPYYYPTPSFNEEYIKNNIQTVFANFTEANQIPIGFEFSKTAPSNKNLYMYLQYTYIRYEIIKVLQHEIIERAVLYVPSLGYVKSIEFNPGEKINKDFYFLTNDKCILNEQFLYKKILETTKNIPTNNIFNSKVSSTQRVLPYSNGLYVINKGDGYIRTNDKDLIGTLLIEAGSSGSIIQPRLRNTTRPLFTTSNDAKFSQQYTEERLKDAFNVQLFNTSTSLFKFVEEAPSNKNICIKAYNTYEKYELIDYQNGSIVNKAEYYLPSLGYCEVTNAPSPESEVVKTQVAEDGFIQNGPEEEIVVGVIDPSENIQEINTAISDNYTYNIPGIVNNNPFYILFTVNTTGIYKINAQNNLPSLKIYEAIGSGNRNFQSGNLCDDDIKAINYITGFDSPNAKSYLVVLLNKDKNYYIRVPQTSSNIENQIKFKREEGDLRNLMNSSVNIIDNLNSTGAHYYTRQSPDVHDYISYEFTIPGNFNNKDTSNIRLYTSYNQGIGTLFRVTETIDGYNLINIQQNLNLLNSTKSIRLLNGAIYILKVEVTELNNYNIKLHIDITN

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	triclinic

resolution	2.76 Å
resolution_method	—
num_particles	355719

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

NTNH-HA70 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 (2)

Entity 1 polymer

Polymer

Source

Entity 2 polymer

Polymer

Source

6. Citations (1)

7. Files & Curves (10)

Files (7)

Curves (3)