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1a8d

TETANUS TOXIN C FRAGMENT

Method: X-RAY DIFFRACTION D_max: 86.9 Å Quality: GOOD

SAXS Profile

P(r) Distribution

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1. Structure Basics

entry_id	1a8d
deposition_date	1998-03-23
title	TETANUS TOXIN C FRAGMENT
keywords	NEUROTOXIN, CLOSTRIDIAL, GANGLIOSIDE BINDING REGION; NEUROTOXIN
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	25.92 Å
rg_electron	24.93 Å
i0	44911700.00
molecular_weight	52163.0 kDa
excluded_volume	65228 Å³
envelope_volume	77676 Å³
shell_volume	26545 Å³
envelope_diameter	90.6 Å
shell_rg	31.61 Å
envelope_rg	25.18 Å
shape_rg	24.91 Å
total_rg	25.74 Å
total_atoms	3659
n_residues	452
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	86.9 Å
rg_real	25.97 Å
rg_real_error	0.73 Å
i0_real	4.4910e+07
i0_real_error	6.7250e+05
rg_reciprocal	25.96 Å
i0_reciprocal	44910000.0000
total_estimate	0.8759
solution_quality	GOOD a GOOD solution
n_peaks	2
r_peak_primary	28.5 Å
skewness	0.420
kurtosis	-0.326
angular_range	— – 0.3050 Å⁻¹
current_alpha	0.0000
highest_alpha	6656000.0000
n_real_points	62
gnom_version	4.1.3
quality_criteria	AN1: 0.000; Oscil: 0.816; Stabil: 0.997; Sysdev: 1.000; Positv: 1.000; Valcen: 0.963; Smooth: 0.977

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4. Crystallography & Experiment

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5. Entities & Polymer Info (3)

Entity 1 polymer

description	TETANUS NEUROTOXIN
formula_weight	51826.4 kDa
ec_number	3.4.24.68
mutation	INS(M1)
src_method	man
entity_count	1

Polymer

type	polypeptide(L)
strand_id	A
atom_count	4083

MKNLDCWVDNEEDIDVILKKSTILNLDINNDIISDISGFNSSVITYPDAQLVPGINGKAIHLVNNESSEVIVHKAMDIEYNDMFNNFTVSFWLRVPKVSASHLEQYGTNEYSIISSMKKHSLSIGSGWSVSLKGNNLIWTLKDSAGEVRQITFRDLPDKFNAYLANKWVFITITNDRLSSANLYINGVLMGSAEITGLGAIREDNNITLKLDRCNNNNQYVSIDKFRIFCKALNPKEIEKLYTSYLSITFLRDFWGNPLRYDTEYYLIPVASSSKDVQLKNITDYMYLTNAPSYTNGKLNIYYRRLYNGLKFIIKRYTPNNEIDSFVKSGDFIKLYVSYNNNEHIVGYPKDGNAFNNLDRILRVGYNAPGIPLYKKMEAVKLRDLKTYSVQLKLYDDKNASLGLVGTHNGQIGNDPNRDILIASNWYFNHLKDKILGCDWYFVPTDEGWTND

Source

organism	Clostridium tetani
ncbi_taxonomy_id	1513
host_organism	Escherichia coli

Entity 2 non-polymer

description	GOLD ION
formula_weight	197.0 kDa
src_method	syn
entity_count	2

Entity 3 water

description	water
formula_weight	18.0 kDa
src_method	nat
entity_count	424

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6. Citations (1)

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length_a	71.180 Å
length_b	79.380 Å
length_c	93.810 Å
angle_alpha	90.00 °
angle_beta	90.00 °
angle_gamma	90.00 °
z_pdb	4

space_group	P 21 21 21
int_tables_number	19
crystal_system	—

resolution	1.570 Å
resolution_low	22.500 Å
r_factor	0.1785
r_work	—
r_free	0.2618

fit	/app/data/saxs_computation/a8/1a8d/1a8d.fit
pddf	/app/data/pr_computation/a8/1a8d/1a8d.pr.out
profile	/app/data/saxs_computation/a8/1a8d/1a8d.dat

TETANUS TOXIN C FRAGMENT

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