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1diw

THE HC FRAGMENT OF TETANUS TOXIN COMPLEXED WITH GALACTOSE

Method: X-RAY DIFFRACTION D_max: 84.8 Å Quality: GOOD

SAXS Profile

P(r) Distribution

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1. Structure Basics

entry_id	1diw
deposition_date	1999-11-30
title	THE HC FRAGMENT OF TETANUS TOXIN COMPLEXED WITH GALACTOSE
keywords	BETA TREFOIL, JELLY-ROLL, TOXIN; TOXIN
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	25.66 Å
rg_electron	24.56 Å
i0	41172400.00
molecular_weight	50626.0 kDa
excluded_volume	63778 Å³
envelope_volume	75991 Å³
shell_volume	26302 Å³
envelope_diameter	87.4 Å
shell_rg	31.26 Å
envelope_rg	24.76 Å
shape_rg	24.52 Å
total_rg	25.47 Å
total_atoms	3578
n_residues	441
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	84.8 Å
rg_real	25.72 Å
rg_real_error	0.52 Å
i0_real	4.1170e+07
i0_real_error	5.2500e+05
rg_reciprocal	25.71 Å
i0_reciprocal	41170000.0000
total_estimate	0.8819
solution_quality	GOOD a GOOD solution
n_peaks	2
r_peak_primary	27.3 Å
skewness	0.433
kurtosis	-0.311
angular_range	— – 0.3100 Å⁻¹
current_alpha	0.0000
highest_alpha	7513000.0000
n_real_points	63
gnom_version	4.1.3
quality_criteria	AN1: 0.000; Oscil: 0.835; Stabil: 1.000; Sysdev: 1.000; Positv: 1.000; Valcen: 0.982; Smooth: 0.972

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4. Crystallography & Experiment

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5. Entities & Polymer Info (3)

Entity 1 polymer

description	TETANUS TOXIN HC
formula_weight	50519.0 kDa
ec_number	3.4.24.68
src_method	man
entity_count	1

Polymer

type	polypeptide(L)
strand_id	A
atom_count	3924

EDIDVILKKSTILNLDINNDIISDISGFNSSVITYPDAQLVPGINGKAIHLVNNEESEVIVHKAMDIEYNDMFNNFTVSFWLRVPKVSASHLEQYGTNEYSIISSMKKHSLSIGSGWSVSLKGNNLIWTLKDSAGEVRQITFRDLPDKFNAYLANKWVFITITNDRLSSANLYINGVLMGSAEITGLGAIREDNNITLKLDRCNNNNQYVSIDKFRIFCKALNPKEIEKLYTSYLSITFLRDFWGNPLRYDTEYYLIPVASSSKDVQLKNITDYMYLTNAPSYTNGKLNIYYRRLYNGLKFIIKRYTPNNEIDSFVKSGDFIKLYVSYNNNEHIVGYPKDGNAFNNLDRILRVGYNAPGIPLYKKMEAVKLRDLKTYSVQLKLYDDKNASLGLVGTHNGQIGNDPNRDILIASNWYFNHLKDKILGCDWYFVPTDEGWTND

Source

organism	Clostridium tetani
ncbi_taxonomy_id	1513
host_organism	Escherichia coli

Entity 2 non-polymer

description	beta-D-galactopyranose
formula_weight	180.2 kDa
src_method	man
entity_count	1

Entity 3 water

description	water
formula_weight	18.0 kDa
src_method	nat
entity_count	346

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6. Citations (2)

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length_a	67.076 Å
length_b	70.882 Å
length_c	122.238 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	2.000 Å
resolution_low	27.900 Å
r_factor	0.2170
r_work	0.2160
r_free	0.2670

fit	/app/data/saxs_computation/di/1diw/1diw.fit
pddf	/app/data/pr_computation/di/1diw/1diw.pr.out
profile	/app/data/saxs_computation/di/1diw/1diw.dat

THE HC FRAGMENT OF TETANUS TOXIN COMPLEXED WITH GALACTOSE

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