SURPRISING LEADS FOR A CHOLERA TOXIN RECEPTOR BINDING ANTAGONIST; CRYSTALLOGRAPHIC STUDIES OF CTB MUTANTS

Method: X-RAY DIFFRACTION D_max: 72.2 Å Quality: REASONABLE

SAXS Profile

P(r) Distribution

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1. Structure Basics

entry_id	1chq
deposition_date	1995-02-15
title	SURPRISING LEADS FOR A CHOLERA TOXIN RECEPTOR BINDING ANTAGONIST; CRYSTALLOGRAPHIC STUDIES OF CTB MUTANTS
keywords	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	24.51 Å
rg_electron	23.17 Å
i0	55066300.00
molecular_weight	57170.0 kDa
excluded_volume	71264 Å³
envelope_volume	84813 Å³
shell_volume	29509 Å³
envelope_diameter	70.6 Å
shell_rg	30.86 Å
envelope_rg	22.94 Å
shape_rg	23.20 Å
total_rg	23.89 Å
total_atoms	4010
n_residues	515
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	72.2 Å
rg_real	24.32 Å
rg_real_error	0.26 Å
i0_real	5.5070e+07
i0_real_error	6.2900e+05
rg_reciprocal	24.37 Å
i0_reciprocal	55070000.0000
total_estimate	0.7438
solution_quality	REASONABLE a REASONABLE solution
n_peaks	1
r_peak_primary	69.9 Å
skewness	0.089
kurtosis	-0.603
angular_range	— – 0.3250 Å⁻¹
current_alpha	0.0001
highest_alpha	24120000.0000
n_real_points	64
gnom_version	4.1.3
quality_criteria	AN1: 0.000; Oscil: 0.968; Stabil: 1.000; Sysdev: 0.264; Positv: 1.000; Valcen: 0.988; Smooth: 0.980

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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	102.600 Å
length_b	67.390 Å
length_c	98.810 Å
angle_alpha	90.00 °
angle_beta	131.63 °
angle_gamma	90.00 °
z_pdb	20

space_group	C 1 2 1
int_tables_number	5
crystal_system	—

resolution	2.100 Å
resolution_low	12.000 Å
r_factor	—
r_work	0.2080
r_free	—

description	CHOLERA TOXIN B PENTAMER
formula_weight	11581.2 kDa
mutation	R35D
src_method	man
entity_count	5

type	polypeptide(L)
strand_id	D,E,F,G,H
atom_count	4115

SURPRISING LEADS FOR A CHOLERA TOXIN RECEPTOR BINDING ANTAGONIST; CRYSTALLOGRAPHIC STUDIES OF CTB MUTANTS

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 (3)

7. Files & Curves (10)

Files (7)

Curves (3)

organism	Vibrio cholerae
ncbi_taxonomy_id	666
host_organism	Escherichia coli

description	water
formula_weight	18.0 kDa
src_method	nat
entity_count	105

fit	/app/data/saxs_computation/ch/1chq/1chq.fit
pddf	/app/data/pr_computation/ch/1chq/1chq.pr.out
profile	/app/data/saxs_computation/ch/1chq/1chq.dat