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9uns

Apg mutant enzyme D448N of acarbose hydrolase from human gut flora K. grimontii TD1,complex with acarbose

Method: X-RAY DIFFRACTION D_max: 84.1 Å Quality: GOOD

SAXS Profile

P(r) Distribution

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1. Structure Basics

entry_id	9uns
deposition_date	2025-04-24
last_revision	2025-09-03
title	Apg mutant enzyme D448N of acarbose hydrolase from human gut flora K. grimontii TD1,complex with acarbose
keywords	Hydrolase, Complex; 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	26.32 Å
rg_electron	25.50 Å
i0	146755000.00
molecular_weight	64078.0 kDa
excluded_volume	61938 Å³
envelope_volume	100320 Å³
shell_volume	32315 Å³
envelope_diameter	86.4 Å
shell_rg	33.32 Å
envelope_rg	25.92 Å
shape_rg	25.49 Å
total_rg	26.12 Å
total_atoms	4871
n_residues	598
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	84.1 Å
rg_real	26.30 Å
rg_real_error	0.53 Å
i0_real	1.4680e+08
i0_real_error	2.0170e+06
rg_reciprocal	26.31 Å
i0_reciprocal	146800000.0000
total_estimate	0.8949
solution_quality	GOOD a GOOD solution
n_peaks	2
r_peak_primary	29.4 Å
skewness	0.365
kurtosis	-0.309
angular_range	— – 0.3000 Å⁻¹
current_alpha	0.0000
highest_alpha	25450000.0000
n_real_points	61
gnom_version	4.1.3
quality_criteria	AN1: 0.000; Oscil: 0.893; Stabil: 1.000; Sysdev: 1.000; Positv: 1.000; Valcen: 0.998; Smooth: 0.954

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4. Crystallography & Experiment

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5. Entities & Polymer Info (3)

Entity 1 polymer

description	Maltodextrin glucosidase
formula_weight	69107.7 kDa
ec_number	3.2.1.135,3.2.1.20
mutation	D448N
src_method	man
entity_count	1

Polymer

type	polypeptide(L)
strand_id	A
atom_count	5344

MLKAWHLPVAPFIKEQQERLMITLWLSGDDLPPRVTLRAEEDNEELSLPMHRLRQAPHPGVVAWRGEINLVNGQPRRRYSFKLLWADRQLWFTPQEFNRFPPARLEQFAVDLPDSGPQWVADQVFYQIFPDRFARSQSREAEQDATYYHHAAGHDIVRKAWDEPLTAEAGGSTFYGGDLDGISEKLPYLKQLGVTALYLNPVFVAPSVHKYDTEDYRRVDPQFGGDAALLRLRHNTQKEGMRLILDGVFNHSGDSHAWFDRHQRGSGGACHNADSPWRDWYNFSPEGVAHDWLGYASLPKLDYRSSTLIDEIYGGEDSVVRHWLKAPWSMDGWRLDVVHMLGEGGGARNNLRHIAGITQAAKLERPDAFVFGEHFGDARQWLQADVEDSAMNYRGFTFPLWGFLANTDISYDPQKIDAQTCMAWMDNYRAGLSHQQQLRMFNQLDSHNTARFKSLLGKDVARLPLAVVWLFSWPGVPCIYYGDEVGVDGNNDPFCRKPFPWDPALQDGDLLDLYKRMSKLRKAHQALRYGGCQVIYAEDNVVVFVRVYKQQRVLVAINRGEACEVVIEDSPLLDVNGWQLKEGAGALHDGVLTLPAISASVWFSR

Source

organism	Klebsiella grimontii
ncbi_taxonomy_id	2058152
host_organism	Escherichia coli BL21(DE3)

Entity 2 branched

description	;(2~{S},3~{R},4~{S},5~{R},6~{R})-5-[[(1~{S},4~{R},5~{S},6~{S})-3-(hydroxymethyl)-4,5,6-tris(oxidanyl)cyclohex-2-en-1-yl]amino]-6-methyl-oxane-2,3,4-triol-(1-4)-alpha-D-glucopyranose-(1-4)-beta-D-galactopyranose ;
formula_weight	645.6 kDa
src_method	syn
entity_count	1

Entity 3 water

description	water
formula_weight	18.0 kDa
src_method	nat
entity_count	466

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6. Citations (1)

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length_a	75.645 Å
length_b	75.645 Å
length_c	401.935 Å
angle_alpha	90.00 °
angle_beta	90.00 °
angle_gamma	120.00 °
z_pdb	12

space_group	P 65 2 2
int_tables_number	179
crystal_system	hexagonal

resolution	1.910 Å
resolution_low	46.840 Å
r_factor	0.2106
r_work	0.2081
r_free	0.2575

fit	/app/data/saxs_computation/un/9uns/9uns.fit
pddf	/app/data/pr_computation/un/9uns/9uns.pr.out
profile	/app/data/saxs_computation/un/9uns/9uns.dat

Apg mutant enzyme D448N of acarbose hydrolase from human gut flora K. grimontii TD1,complex with acarbose

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