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9us3

Klebsiella pneumoniae maltohexaose-producing alpha-amylase

Method: X-RAY DIFFRACTION D_max: 107.9 Å Quality: EXCELLENT

SAXS Profile

P(r) Distribution

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1. Structure Basics

entry_id	9us3
deposition_date	2025-05-01
title	Klebsiella pneumoniae maltohexaose-producing alpha-amylase
keywords	glycosyl hydrolase family 13, 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	34.85 Å
rg_electron	34.01 Å
i0	340140000.00
molecular_weight	146470.0 kDa
excluded_volume	181910 Å³
envelope_volume	229510 Å³
shell_volume	54101 Å³
envelope_diameter	110.7 Å
shell_rg	42.36 Å
envelope_rg	33.57 Å
shape_rg	33.98 Å
total_rg	34.71 Å
total_atoms	10339
n_residues	1300
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	107.9 Å
rg_real	34.65 Å
rg_real_error	0.69 Å
i0_real	3.4010e+08
i0_real_error	5.0670e+06
rg_reciprocal	34.78 Å
i0_reciprocal	340200000.0000
total_estimate	0.9063
solution_quality	EXCELLENT a EXCELLENT solution
n_peaks	2
r_peak_primary	45.5 Å
skewness	0.082
kurtosis	-0.604
angular_range	— – 0.2250 Å⁻¹
current_alpha	0.0000
highest_alpha	57500000.0000
n_real_points	46
gnom_version	4.1.3
quality_criteria	AN1: 0.000; Oscil: 0.941; Stabil: 1.000; Sysdev: 1.000; Positv: 1.000; Valcen: 0.986; Smooth: 0.967

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4. Crystallography & Experiment

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5. Entities & Polymer Info (3)

Entity 1 polymer

description	Maltohexaose-producing amylase
formula_weight	74270.9 kDa
ec_number	3.2.1.98
src_method	man
entity_count	2

Polymer

type	polypeptide(L)
strand_id	A,B
atom_count	11227

AWTTTDFPAFTEEGTGRFISQKVVEKGTRPLQLNFDQQCWQPSGGIKLNQMLSMEPCRGTPPQWRIFRQGLYTLEVDTRSGTPTMMISLEEKETSAAAPQIRQCPKWDGKPLTIDVSKTFAEGSKVRDFYSGNVATVSGGKITLQPAFGSNGLLLLERAETAAPAPFDWHNATVYFVLTDRFVNGNPANDNSYGRHKDGMQEIGTFHGGDLQGLTSKLDYLQQMGVNALWISSPLEQIHGWVGGGTKGDFPHYAYHGYYTQDWSKLDANMGTEADLRRLVDEAHKRGIRILFDVVMNHAGYATLADMQEFQFGSLYLQGDELKKTLGERWTDWKPGAGQTWHSFNDYINFSDKAGWEKWWGKKWIRIDIGDYDNPGYDDLTMSLAFLPDLKTESKEISGLPNFYSHKPDTAAKAIPGYTPRDYLTHWLSQWVRDYGIDGFRVDTAKHVEMDAWQQLKTQATAALAEWKKANPDKALDAAPFWMTGEAWGHGVMQSDYYRHGFDAMINFDYQDQAAKAATCMANIDLTWQQMADKLQSFNVLSYLSSHDTRLFREGGATAAELLLLAPGAVQIFYGDESSRPFGPTGSDPLQGTRSEMNWQDVNGKAARSVTHWQKIGQFRARHPAIGMGKQTTLSMSRGYGFVRESGEDKVMVIWAGQQQ

Source

organism	Klebsiella pneumoniae
ncbi_taxonomy_id	573
host_organism	Escherichia coli B

Entity 2 non-polymer

description	CALCIUM ION
formula_weight	40.1 kDa
src_method	syn
entity_count	4

Entity 3 water

description	water
formula_weight	18.0 kDa
src_method	nat
entity_count	858

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6. Citations (2)

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length_a	74.726 Å
length_b	107.839 Å
length_c	82.361 Å
angle_alpha	90.00 °
angle_beta	97.35 °
angle_gamma	90.00 °
z_pdb	4

space_group	P 1 21 1
int_tables_number	4
crystal_system	—

resolution	1.899 Å
resolution_low	30.682 Å
r_factor	—
r_work	0.1884
r_free	0.2173

fit	/app/data/saxs_computation/us/9us3/9us3.fit
pddf	/app/data/pr_computation/us/9us3/9us3.pr.out
profile	/app/data/saxs_computation/us/9us3/9us3.dat

Klebsiella pneumoniae maltohexaose-producing alpha-amylase

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