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9s85

Amuc0121_S1_15 in complex with O6 sulfated D-Galactose

Method: X-RAY DIFFRACTION D_max: 103.0 Å Quality: EXCELLENT

SAXS Profile

P(r) Distribution

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1. Structure Basics

entry_id	9s85
deposition_date	2025-08-05
last_revision	2026-06-03
title	Amuc0121_S1_15 in complex with O6 sulfated 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	32.70 Å
rg_electron	31.90 Å
i0	180295000.00
molecular_weight	107190.0 kDa
excluded_volume	134160 Å³
envelope_volume	163200 Å³
shell_volume	41872 Å³
envelope_diameter	103.1 Å
shell_rg	39.47 Å
envelope_rg	31.68 Å
shape_rg	31.89 Å
total_rg	32.53 Å
total_atoms	7541
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	103.0 Å
rg_real	32.65 Å
rg_real_error	0.83 Å
i0_real	1.8030e+08
i0_real_error	3.0850e+06
rg_reciprocal	32.68 Å
i0_reciprocal	180300000.0000
total_estimate	0.9051
solution_quality	EXCELLENT a EXCELLENT solution
n_peaks	2
r_peak_primary	34.3 Å
skewness	0.227
kurtosis	-0.687
angular_range	— – 0.2400 Å⁻¹
current_alpha	0.0000
highest_alpha	44480000.0000
n_real_points	49
gnom_version	4.1.3
quality_criteria	AN1: 0.000; Oscil: 0.942; Stabil: 1.000; Sysdev: 1.000; Positv: 1.000; Valcen: 0.991; Smooth: 0.944

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4. Crystallography & Experiment

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5. Entities & Polymer Info (4)

Entity 1 polymer

description	Sulfatase
formula_weight	54466.9 kDa
src_method	man
entity_count	2

Polymer

type	polypeptide(L)
strand_id	A,B
atom_count	7966

TVKPPKAIVMIYADDLGYGDVGCYGAKGIPTPAIDKLAEQGCRFTDAYSTTSVSTPSRYALFTGEYPWRKEGTGILPGDAALIIDTKKPTLPKMLQSHGYKTYMIGKWHLGLGEKGKKIDWNKHISPSPNEIGFDESFIFAATGDRVPCVILENGNVRNLDPNDPIEVSYKHNFPGLPNGKDNKDQLKLMWSHGHNQAIINGIGRIGFMKGGKSALWKDEENADVITDKAIEYIQKSAKAKEPFFLMFATHDIHVPRCPEKRFVGKSRHGVRGDVTVELDDCVRRITEALQQAGLEKDALVIFSSDNGPVLDDGYRDFAVRDNATHSPAGPFRAGKYSILEGGSRIPFIVKWPGVIKPGTTSKALLNQMDLGASLEQLLAPGKANSFRDSENVMPALLGKSAKGRDYHVINSTGKALAIRHGKWKFIPAGVAIRDGINGASAKMSKSPEGGSLFDLEKDPKELDNVASQHPDICEQMKAKLEEIRQRSETKADQED

Source

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

Entity 2 non-polymer

description	6-O-sulfo-beta-D-galactopyranose
formula_weight	260.2 kDa
src_method	syn
entity_count	2

Entity 3 non-polymer

description	CALCIUM ION
formula_weight	40.1 kDa
src_method	syn
entity_count	2

Entity 4 water

description	water
formula_weight	18.0 kDa
src_method	nat
entity_count	312

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6. Citations (1)

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length_a	65.055 Å
length_b	91.127 Å
length_c	160.101 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	1.800 Å
resolution_low	60.270 Å
r_factor	—
r_work	0.1850
r_free	0.2205

fit	/app/data/saxs_computation/s8/9s85/9s85.fit
pddf	/app/data/pr_computation/s8/9s85/9s85.pr.out
profile	/app/data/saxs_computation/s8/9s85/9s85.dat

Amuc0121_S1_15 in complex with O6 sulfated D-Galactose

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