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1eef

HEAT-LABILE ENTEROTOXIN B-PENTAMER COMPLEXED WITH BOUND LIGAND PEPG

Method: X-RAY DIFFRACTION D_max: 130.0 Å Quality: GOOD

SAXS Profile

P(r) Distribution

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1. Structure Basics

entry_id	1eef
deposition_date	2000-01-31
title	HEAT-LABILE ENTEROTOXIN B-PENTAMER COMPLEXED WITH BOUND LIGAND PEPG
keywords	ENTEROTOXIN, 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	38.40 Å
rg_electron	38.30 Å
i0	221269000.00
molecular_weight	120810.0 kDa
excluded_volume	151430 Å³
envelope_volume	188960 Å³
shell_volume	42541 Å³
envelope_diameter	131.4 Å
shell_rg	42.34 Å
envelope_rg	37.86 Å
shape_rg	38.31 Å
total_rg	38.51 Å
total_atoms	8440
n_residues	1030
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	130.0 Å
rg_real	38.72 Å
rg_real_error	1.25 Å
i0_real	2.2130e+08
i0_real_error	4.0630e+06
rg_reciprocal	38.53 Å
i0_reciprocal	221200000.0000
total_estimate	0.8384
solution_quality	GOOD a GOOD solution
n_peaks	1
r_peak_primary	38.1 Å
skewness	0.451
kurtosis	-0.574
angular_range	— – 0.2050 Å⁻¹
current_alpha	0.0000
highest_alpha	23390000.0000
n_real_points	42
gnom_version	4.1.3
quality_criteria	AN1: 0.000; Oscil: 0.754; Stabil: 1.000; Sysdev: 1.000; Positv: 1.000; Valcen: 0.838; Smooth: 0.795

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4. Crystallography & Experiment

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5. Entities & Polymer Info (4)

Entity 1 polymer

description	PROTEIN (HEAT-LABILE ENTEROTOXIN B CHAIN)
formula_weight	11807.5 kDa
src_method	man
entity_count	10

Polymer

type	polypeptide(L)
strand_id	D,E,F,G,H,L,M,N,O,P
atom_count	9523

APQTITELCSEYRNTQIYTINDKILSYTESMAGKREMVIITFKSGETFQVEVPGSQHIDSQKKAIERMKDTLRITYLTETKIDKLCVWNNKTPNSIAAISMKN

Source

organism	Escherichia coli
ncbi_taxonomy_id	562
host_organism	Escherichia coli

Entity 2 non-polymer

description	alpha-D-galactopyranose
formula_weight	180.2 kDa
src_method	man
entity_count	10

Entity 3 non-polymer

description	2-PHENETHYL-2,3-DIHYDRO-PHTHALAZINE-1,4-DIONE
formula_weight	266.3 kDa
src_method	syn
entity_count	4

Entity 4 water

description	water
formula_weight	18.0 kDa
src_method	nat
entity_count	1083

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6. Citations (2)

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length_a	88.540 Å
length_b	65.020 Å
length_c	101.930 Å
angle_alpha	90.00 °
angle_beta	115.47 °
angle_gamma	90.00 °
z_pdb	20

space_group	P 1 21 1
int_tables_number	4
crystal_system	—

resolution	1.800 Å
resolution_low	22.000 Å
r_factor	0.1820
r_work	0.1820
r_free	0.2670

fit	/app/data/saxs_computation/ee/1eef/1eef.fit
pddf	/app/data/pr_computation/ee/1eef/1eef.pr.out
profile	/app/data/saxs_computation/ee/1eef/1eef.dat

HEAT-LABILE ENTEROTOXIN B-PENTAMER COMPLEXED WITH BOUND LIGAND PEPG

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