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9xfu

Cycloisomaltooligosaccharide binding protein in complex with isomaltoheptaose

Method: X-RAY DIFFRACTION D_max: 74.4 Å Quality: GOOD

SAXS Profile

P(r) Distribution

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1. Structure Basics

entry_id	9xfu
deposition_date	2025-10-29
title	Cycloisomaltooligosaccharide binding protein in complex with isomaltoheptaose
keywords	Complex, Solute binding protein, oligosaccharides, SUGAR BINDING PROTEIN; SUGAR BINDING PROTEIN
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	22.72 Å
rg_electron	21.65 Å
i0	29793900.00
molecular_weight	43373.0 kDa
excluded_volume	54802 Å³
envelope_volume	62498 Å³
shell_volume	24057 Å³
envelope_diameter	77.7 Å
shell_rg	28.55 Å
envelope_rg	21.92 Å
shape_rg	21.63 Å
total_rg	22.59 Å
total_atoms	3058
n_residues	390
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	74.4 Å
rg_real	22.69 Å
rg_real_error	0.41 Å
i0_real	2.9790e+07
i0_real_error	3.9210e+05
rg_reciprocal	22.70 Å
i0_reciprocal	29790000.0000
total_estimate	0.8898
solution_quality	GOOD a GOOD solution
n_peaks	2
r_peak_primary	25.9 Å
skewness	0.336
kurtosis	-0.297
angular_range	— – 0.3500 Å⁻¹
current_alpha	0.0000
highest_alpha	7797000.0000
n_real_points	67
gnom_version	4.1.3
quality_criteria	AN1: 0.000; Oscil: 0.863; Stabil: 1.000; Sysdev: 1.000; Positv: 1.000; Valcen: 1.000; Smooth: 0.974

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4. Crystallography & Experiment

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5. Entities & Polymer Info (3)

Entity 1 polymer

description	ABC transporter substrate-binding protein
formula_weight	48528.8 kDa
src_method	man
entity_count	1

Polymer

type	polypeptide(L)
strand_id	A
atom_count	3426

MKRFFQFMLITLLIVSMAAISFGCAKSEETTEGNNTGNEQTNASNQEETIKEPVTIEFWHTYSDTEEVIFNEQVLPLFEEKYPNIKVTSTRMPYEGLKQQVIAGVAGDAAPDLMRMDIIWVPEFAKLGALMSLDDMDGFGDVSGQLFPGPLATNYYNGKYYGLPLNTNTKVAIYNKELLAEAGLTEAPKTFDQLIEASKALKAKGKFGIGIGGTGPWGSLPYFWSLGGKITDENFTKASGYLNSPESIAALEKIVELNNEGLIAPTLLGGEPGTWDGVKEQYLMIDDGPWFYSILGDEALEITTPALMPEGDGGSVSVVGGEDLVMFNTTKHPEEAWTFMKFLMTEEPQKIMAQTGLIPTNQQAAGSTEVLSVPFIKPYIEQLKTAQPRTPHPNWVKIEESLDLAFGKAVRGEMGAKEALDQAAKEIDEFLKLEHHHHHH

Source

organism	Tepidibacillus decaturensis
ncbi_taxonomy_id	1413211
host_organism	Escherichia coli BL21(DE3)

Entity 2 branched

description	;alpha-D-glucopyranose-(1-6)-alpha-D-glucopyranose-(1-6)-alpha-D-glucopyranose-(1-6)-alpha-D-glucopyranose-(1-6)-alpha-D-glucopyranose ;
formula_weight	828.7 kDa
src_method	man
entity_count	1

Entity 3 water

description	water
formula_weight	18.0 kDa
src_method	nat
entity_count	368

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6. Citations (1)

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length_a	62.287 Å
length_b	68.703 Å
length_c	108.414 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	orthorhombic

resolution	1.900 Å
resolution_low	46.150 Å
r_factor	0.1689
r_work	0.1673
r_free	0.2002

fit	/app/data/saxs_computation/xf/9xfu/9xfu.fit
pddf	/app/data/pr_computation/xf/9xfu/9xfu.pr.out
profile	/app/data/saxs_computation/xf/9xfu/9xfu.dat

Cycloisomaltooligosaccharide binding protein in complex with isomaltoheptaose

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