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9s7x

Amuc0121_S1_15 in complex with D-Galactose

Method: X-RAY DIFFRACTION D_max: 116.1 Å Quality: GOOD

SAXS Profile

P(r) Distribution

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1. Structure Basics

entry_id	9s7x
deposition_date	2025-08-05
last_revision	2026-06-03
title	Amuc0121_S1_15 in complex with D-Galactose
keywords	Carbohydrate sulfatase, mucin, Akkermansia muciniphila, Sulfation, HYDROLASE; HYDROLASE
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	33.41 Å
rg_electron	33.25 Å
i0	178958000.00
molecular_weight	107500.0 kDa
excluded_volume	134630 Å³
envelope_volume	166080 Å³
shell_volume	41538 Å³
envelope_diameter	122.4 Å
shell_rg	40.17 Å
envelope_rg	32.98 Å
shape_rg	33.24 Å
total_rg	33.79 Å
total_atoms	7563
n_residues	973
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	116.1 Å
rg_real	33.47 Å
rg_real_error	1.14 Å
i0_real	1.7900e+08
i0_real_error	2.6840e+06
rg_reciprocal	33.44 Å
i0_reciprocal	179000000.0000
total_estimate	0.7789
solution_quality	GOOD a GOOD solution
n_peaks	3
r_peak_primary	32.1 Å
skewness	0.374
kurtosis	-0.518
angular_range	— – 0.2350 Å⁻¹
current_alpha	0.0000
highest_alpha	47310000.0000
n_real_points	48
gnom_version	4.1.3
quality_criteria	AN1: 0.000; Oscil: 0.764; Stabil: 0.994; Sysdev: 1.000; Positv: 1.000; Valcen: 0.847; Smooth: 0.000

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4. Crystallography & Experiment

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5. Entities & Polymer Info (5)

Entity 1 polymer

description	Sulfatase
formula_weight	54498.9 kDa
src_method	man
entity_count	2

Polymer

type	polypeptide(L)
strand_id	A,B
atom_count	8320

TVKPPKAIVMIYADDLGYGDVGCYGAKGIPTPAIDKLAEQGCRFTDAYSTTSVCTPSRYALFTGEYPWRKEGTGILPGDAALIIDTKKPTLPKMLQSHGYKTYMIGKWHLGLGEKGKKIDWNKHISPSPNEIGFDESFIFAATGDRVPCVILENGNVRNLDPNDPIEVSYKHNFPGLPNGKDNKDQLKLMWSHGHNQAIINGIGRIGFMKGGKSALWKDEENADVITDKAIEYIQKSAKAKEPFFLMFATHDIHVPRCPEKRFVGKSRHGVRGDVTVELDDCVRRITEALQQAGLEKDALVIFSSDNGPVLDDGYRDFAVRDNATHSPAGPFRAGKYSILEGGSRIPFIVKWPGVIKPGTTSKALLNQMDLGASLEQLLAPGKANSFRDSENVMPALLGKSAKGRDYHVINSTGKALAIRHGKWKFIPAGVAIRDGINGASAKMSKSPEGGSLFDLEKDPKELDNVASQHPDICEQMKAKLEEIRQRSETKADQED

Source

organism	Akkermansia muciniphila ATCC BAA-835
ncbi_taxonomy_id	349741
host_organism	Escherichia coli

Entity 2 non-polymer

description	beta-D-galactopyranose
formula_weight	180.2 kDa
src_method	syn
entity_count	2

Entity 3 non-polymer

description	2-[2-(2-ethoxyethoxy)ethoxy]ethanol
formula_weight	178.2 kDa
src_method	syn
entity_count	1

Entity 4 non-polymer

description	CALCIUM ION
formula_weight	40.1 kDa
src_method	syn
entity_count	2

Entity 5 water

description	water
formula_weight	18.0 kDa
src_method	nat
entity_count	596

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6. Citations (1)

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length_a	66.510 Å
length_b	91.490 Å
length_c	162.080 Å
angle_alpha	90.00 °
angle_beta	90.00 °
angle_gamma	90.00 °
z_pdb	8

space_group	P 21 21 21
int_tables_number	19
crystal_system	—

resolution	1.560 Å
resolution_low	61.607 Å
r_factor	—
r_work	0.1379
r_free	0.1843

fit	/app/data/saxs_computation/s7/9s7x/9s7x.fit
pddf	/app/data/pr_computation/s7/9s7x/9s7x.pr.out
profile	/app/data/saxs_computation/s7/9s7x/9s7x.dat