TETANUS NEUROTOXIN C FRAGMENT

Method: X-RAY DIFFRACTION D_max: 86.0 Å Quality: GOOD

SAXS Profile

P(r) Distribution

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1. Structure Basics

entry_id	1af9
deposition_date	1997-03-24
title	TETANUS NEUROTOXIN C FRAGMENT
keywords	CLOSTRIDIAL NEUROTOXIN, TETANUS, RECEPTOR BINDING; CLOSTRIDIAL 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	25.67 Å
rg_electron	24.58 Å
i0	40843000.00
molecular_weight	50422.0 kDa
excluded_volume	63530 Å³
envelope_volume	76026 Å³
shell_volume	26322 Å³
envelope_diameter	87.6 Å
shell_rg	31.23 Å
envelope_rg	24.78 Å
shape_rg	24.54 Å
total_rg	25.49 Å
total_atoms	3564
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	86.0 Å
rg_real	25.73 Å
rg_real_error	0.86 Å
i0_real	4.0840e+07
i0_real_error	6.4160e+05
rg_reciprocal	25.71 Å
i0_reciprocal	40840000.0000
total_estimate	0.8767
solution_quality	GOOD a GOOD solution
n_peaks	2
r_peak_primary	27.8 Å
skewness	0.434
kurtosis	-0.312
angular_range	— – 0.3100 Å⁻¹
current_alpha	0.0000
highest_alpha	7560000.0000
n_real_points	63
gnom_version	4.1.3
quality_criteria	AN1: 0.000; Oscil: 0.811; Stabil: 0.999; Sysdev: 1.000; Positv: 1.000; Valcen: 0.974; Smooth: 0.989

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4. Crystallography & Experiment

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5. Entities & Polymer Info (2)

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6. Citations (3)

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length_a	67.400 Å
length_b	79.700 Å
length_c	91.100 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	2.700 Å
resolution_low	8.000 Å
r_factor	0.1610
r_work	0.1610
r_free	0.2450

description	TETANUS NEUROTOXIN
formula_weight	51826.4 kDa
ec_number	3.4.24.68
mutation	MET INSERTED AT N-TERMINUS
src_method	man
entity_count	1

type	polypeptide(L)
strand_id	A
atom_count	3702

TETANUS NEUROTOXIN 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

5. Entities & Polymer Info (2)

Entity 1 polymer

Polymer

Source

Entity 2 water

6. Citations (3)

7. Files & Curves (10)

Files (7)

Curves (3)

organism	Clostridium tetani
ncbi_taxonomy_id	1513
host_organism	Escherichia coli

description	water
formula_weight	18.0 kDa
src_method	nat
entity_count	138

fit	/app/data/saxs_computation/af/1af9/1af9.fit
pddf	/app/data/pr_computation/af/1af9/1af9.pr.out
profile	/app/data/saxs_computation/af/1af9/1af9.dat