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1ct1

CHOLERA TOXIN B-PENTAMER MUTANT G33R BOUND TO RECEPTOR PENTASACCHARIDE

Method: X-RAY DIFFRACTION D_max: 75.1 Å Quality: EXCELLENT

SAXS Profile

P(r) Distribution

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1. Structure Basics

entry_id	1ct1
deposition_date	1997-06-03
title	CHOLERA TOXIN B-PENTAMER MUTANT G33R BOUND TO RECEPTOR PENTASACCHARIDE
keywords	ENTEROTOXIN, TOXIN-RECEPTOR COMPLEX, OLIGOSACCHARIDE; ENTEROTOXIN
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	25.03 Å
rg_electron	23.73 Å
i0	61535600.00
molecular_weight	60584.0 kDa
excluded_volume	75609 Å³
envelope_volume	90093 Å³
shell_volume	30641 Å³
envelope_diameter	75.7 Å
shell_rg	31.52 Å
envelope_rg	23.47 Å
shape_rg	23.74 Å
total_rg	24.50 Å
total_atoms	4242
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	75.1 Å
rg_real	24.88 Å
rg_real_error	0.33 Å
i0_real	6.1540e+07
i0_real_error	7.0910e+05
rg_reciprocal	24.93 Å
i0_reciprocal	61540000.0000
total_estimate	0.9120
solution_quality	EXCELLENT a EXCELLENT solution
n_peaks	2
r_peak_primary	32.2 Å
skewness	0.086
kurtosis	-0.608
angular_range	— – 0.3150 Å⁻¹
current_alpha	0.0000
highest_alpha	23040000.0000
n_real_points	64
gnom_version	4.1.3
quality_criteria	AN1: 0.000; Oscil: 0.959; Stabil: 1.000; Sysdev: 1.000; Positv: 1.000; Valcen: 0.991; Smooth: 0.984

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4. Crystallography & Experiment

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5. Entities & Polymer Info (4)

Entity 1 polymer

description	CHOLERA TOXIN
formula_weight	11723.4 kDa
mutation	G33R
src_method	man
entity_count	5

Polymer

type	polypeptide(L)
strand_id	D,E,F,G,H
atom_count	4393

TPQNITDLCAEYHNTQIHTLNDKIFSYTESLARKREMAIITFKNGATFQVEVPGSQHIDSQKKAIERMKDTLRIAYLTEAKVEKLCVWNNKTPHAIAAISMAN

Source

organism	Vibrio cholerae
ncbi_taxonomy_id	666
host_organism	Escherichia coli

Entity 2 branched

description	;beta-D-galactopyranose-(1-3)-2-acetamido-2-deoxy-beta-D-galactopyranose-(1-4)-[N-acetyl-alpha-neuraminic acid-(2-3)]beta-D-galactopyranose-(1-4)-beta-D-glucopyranose ;
formula_weight	998.9 kDa
src_method	man
entity_count	2

Entity 3 non-polymer

description	CHLORIDE ION
formula_weight	35.5 kDa
src_method	syn
entity_count	1

Entity 4 water

description	water
formula_weight	18.0 kDa
src_method	nat
entity_count	151

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6. Citations (1)

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length_a	103.400 Å
length_b	67.610 Å
length_c	101.700 Å
angle_alpha	90.00 °
angle_beta	131.66 °
angle_gamma	90.00 °
z_pdb	20

space_group	C 1 2 1
int_tables_number	5
crystal_system	—

resolution	2.300 Å
resolution_low	15.000 Å
r_factor	0.1820
r_work	0.1820
r_free	0.2500

fit	/app/data/saxs_computation/ct/1ct1/1ct1.fit
pddf	/app/data/pr_computation/ct/1ct1/1ct1.pr.out
profile	/app/data/saxs_computation/ct/1ct1/1ct1.dat

CHOLERA TOXIN B-PENTAMER MUTANT G33R BOUND TO RECEPTOR PENTASACCHARIDE

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