MOLECULAR STRUCTURE OF THE TOXIC DOMAIN OF HEAT-STABLE ENTEROTOXIN PRODUCED BY A PATHOGENIC STRAIN OF ESCHERICHIA COLI

Method: X-RAY DIFFRACTION D_max: 23.4 Å Quality: GOOD

SAXS Profile

P(r) Distribution

▼

1. Structure Basics

entry_id	1etn
deposition_date	1994-03-15
title	MOLECULAR STRUCTURE OF THE TOXIC DOMAIN OF HEAT-STABLE ENTEROTOXIN PRODUCED BY A PATHOGENIC STRAIN OF ESCHERICHIA COLI
keywords	ENTEROTOXIN; ENTEROTOXIN
method	X-RAY DIFFRACTION

▼

Download Data

SAXS curve (.dat) P(r) distribution (.pr.out) Structure (CIF)

▼

2. SAXS Parameters (CRYSOL)

rg_guinier	6.65 Å
rg_electron	5.59 Å
i0	80694.00
molecular_weight	1275.0 kDa
excluded_volume	1449 Å³
envelope_volume	1452 Å³
shell_volume	2644 Å³
envelope_diameter	18.5 Å
shell_rg	9.72 Å
envelope_rg	6.01 Å
shape_rg	5.64 Å
total_rg	7.16 Å
total_atoms	147
n_residues	12
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

▼

3. P(r) Analysis (GNOM)

dmax	23.4 Å
rg_real	6.66 Å
rg_real_error	0.25 Å
i0_real	8.0690e+04
i0_real_error	7.7000e+02
rg_reciprocal	6.66 Å
i0_reciprocal	80690.0000
total_estimate	0.8450
solution_quality	GOOD a GOOD solution
n_peaks	2
r_peak_primary	7.7 Å
skewness	0.451
kurtosis	0.017
angular_range	— – 0.5000 Å⁻¹
current_alpha	0.0000
highest_alpha	2466.0000
n_real_points	80
gnom_version	4.1.3
quality_criteria	AN1: 0.000; Oscil: 0.743; Stabil: 1.000; Sysdev: 1.000; Positv: 1.000; Valcen: 0.911; Smooth: 0.840

▶

4. Crystallography & Experiment

▶

5. Entities & Polymer Info (2)

▶

6. Citations (5)

▶

length_a	21.010 Å
length_b	27.621 Å
length_c	12.781 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	0.890 Å
resolution_low	10.900 Å
r_factor	—
r_work	0.0880
r_free	—

description	5-BETA-MERCAPTOPROPIONATE HEAT-STABLE ENTEROTOXIN
formula_weight	1258.6 kDa
src_method	man
entity_count	1

type	polypeptide(L)
strand_id	A
atom_count	160

MOLECULAR STRUCTURE OF THE TOXIC DOMAIN OF HEAT-STABLE ENTEROTOXIN PRODUCED BY A PATHOGENIC STRAIN OF ESCHERICHIA COLI

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

5. Entities & Polymer Info (2)

Entity 1 polymer

Polymer

Source

Entity 2 water

6. Citations (5)

7. Files & Curves (10)

Files (7)

Curves (3)

description	water
formula_weight	18.0 kDa
src_method	nat
entity_count	13

fit	/app/data/saxs_computation/et/1etn/1etn.fit
pddf	/app/data/pr_computation/et/1etn/1etn.pr.out
profile	/app/data/saxs_computation/et/1etn/1etn.dat

organism	Escherichia coli
ncbi_taxonomy_id	562