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1bos

SHIGA-LIKE TOXIN COMPLEXED WITH ITS RECEPTOR

Method: X-RAY DIFFRACTION D_max: 147.6 Å Quality: GOOD

SAXS Profile

P(r) Distribution

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1. Structure Basics

entry_id	1bos
deposition_date	1998-01-13
title	SHIGA-LIKE TOXIN COMPLEXED WITH ITS RECEPTOR
keywords	TOXIN, RECEPTOR BINDING, PROTEIN-CARBOHYDRATE RECOGNITION, OB-FOLD; 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	46.88 Å
rg_electron	46.29 Å
i0	486380000.00
molecular_weight	177980.0 kDa
excluded_volume	220880 Å³
envelope_volume	300110 Å³
shell_volume	54860 Å³
envelope_diameter	148.3 Å
shell_rg	49.92 Å
envelope_rg	44.74 Å
shape_rg	46.26 Å
total_rg	46.52 Å
total_atoms	12422
n_residues	1380
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	147.6 Å
rg_real	46.66 Å
rg_real_error	1.18 Å
i0_real	4.8640e+08
i0_real_error	8.8350e+06
rg_reciprocal	46.88 Å
i0_reciprocal	486500000.0000
total_estimate	0.8887
solution_quality	GOOD a GOOD solution
n_peaks	1
r_peak_primary	69.5 Å
skewness	-0.003
kurtosis	-0.744
angular_range	— – 0.1700 Å⁻¹
current_alpha	0.0000
highest_alpha	34750000.0000
n_real_points	35
gnom_version	4.1.3
quality_criteria	AN1: 0.000; Oscil: 0.890; Stabil: 1.000; Sysdev: 1.000; Positv: 1.000; Valcen: 1.000; Smooth: 0.878

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4. Crystallography & Experiment

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5. Entities & Polymer Info (5)

Entity 1 polymer

description	SHIGA-LIKE TOXIN I B SUBUNIT
formula_weight	7698.6 kDa
src_method	man
entity_count	20

Polymer

type	polypeptide(L)
strand_id	A,B,C,D,E,F,G,H,I,J,K,L,M,N,O,P,Q,R,S,T
atom_count	12767

TPDCVTGKVEYTKYNDDDTFTVKVGDKELFTNRWNLQSLLLSAQITGMTVTIKTNACHNGGGFSEVIFR

Source

organism	Phage h30, Enterobacteria phage H-19B
common_name	,
host_organism	Escherichia coli

Entity 2 branched

description	alpha-D-galactopyranose-(1-4)-beta-D-galactopyranose-(1-4)-beta-D-glucopyranose
formula_weight	504.4 kDa
src_method	man
entity_count	33

Entity 3 branched

description	alpha-D-galactopyranose-(1-4)-beta-D-galactopyranose
formula_weight	342.3 kDa
src_method	man
entity_count	16

Entity 4 non-polymer

description	beta-D-galactopyranose
formula_weight	180.2 kDa
src_method	man
entity_count	11

Entity 5 water

description	water
formula_weight	18.0 kDa
src_method	nat
entity_count	345

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6. Citations (2)

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length_a	127.500 Å
length_b	97.700 Å
length_c	164.200 Å
angle_alpha	90.00 °
angle_beta	90.00 °
angle_gamma	90.00 °
z_pdb	80

space_group	P 21 21 21
int_tables_number	19
crystal_system	—

resolution	2.800 Å
resolution_low	21.000 Å
r_factor	0.1700
r_work	0.1700
r_free	0.2260

fit	/app/data/saxs_computation/bo/1bos/1bos.fit
pddf	/app/data/pr_computation/bo/1bos/1bos.pr.out
profile	/app/data/saxs_computation/bo/1bos/1bos.dat