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9us5

Domain N deletion mutant of Klebsiella pneumoniae maltohexaose-producing alpha-amylase in complex with maltohexaose

Method: X-RAY DIFFRACTION D_max: 93.4 Å Quality: GOOD

SAXS Profile

P(r) Distribution

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1. Structure Basics

entry_id	9us5
deposition_date	2025-05-01
title	Domain N deletion mutant of Klebsiella pneumoniae maltohexaose-producing alpha-amylase in complex with maltohexaose
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	25.94 Å
rg_electron	25.23 Å
i0	67137500.00
molecular_weight	63375.0 kDa
excluded_volume	78682 Å³
envelope_volume	90948 Å³
shell_volume	30266 Å³
envelope_diameter	97.4 Å
shell_rg	32.59 Å
envelope_rg	25.79 Å
shape_rg	25.19 Å
total_rg	26.07 Å
total_atoms	4476
n_residues	558
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	93.4 Å
rg_real	26.01 Å
rg_real_error	0.78 Å
i0_real	6.7140e+07
i0_real_error	1.0510e+06
rg_reciprocal	25.99 Å
i0_reciprocal	67140000.0000
total_estimate	0.8326
solution_quality	GOOD a GOOD solution
n_peaks	2
r_peak_primary	29.1 Å
skewness	0.516
kurtosis	0.002
angular_range	— – 0.3050 Å⁻¹
current_alpha	0.0000
highest_alpha	13910000.0000
n_real_points	62
gnom_version	4.1.3
quality_criteria	AN1: 0.000; Oscil: 0.644; Stabil: 1.000; Sysdev: 1.000; Positv: 1.000; Valcen: 0.929; Smooth: 0.958

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4. Crystallography & Experiment

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5. Entities & Polymer Info (4)

Entity 1 polymer

description	Maltohexaose-producing amylase
formula_weight	63797.0 kDa
ec_number	3.2.1.98
src_method	man
entity_count	1

Polymer

type	polypeptide(L)
strand_id	A
atom_count	4560

QCPKWDGKPLTIDVSKTFAEGSKVRDFYSGNVATVSGGKITLQPAFGSNGLLLLERAETAAPAPFDWHNATVYFVLTDRFVNGNPANDNSYGRHKDGMQEIGTFHGGDLQGLTSKLDYLQQMGVNALWISSPLEQIHGWVGGGTKGDFPHYAYHGYYTQDWSKLDANMGTEADLRRLVDEAHKRGIRILFDVVMNHAGYATLADMQEFQFGSLYLQGDELKKTLGERWTDWKPGAGQTWHSFNDYINFSDKAGWEKWWGKKWIRIDIGDYDNPGYDDLTMSLAFLPDLKTESKEISGLPNFYSHKPDTAAKAIPGYTPRDYLTHWLSQWVRDYGIDGFRVDTAKHVEMDAWQQLKTQATAALAEWKKANPDKALDAAPFWMTGEAWGHGVMQSDYYRHGFDAMINFDYQDQAAKAATCMANIDLTWQQMADKLQSFNVLSYLSSHDTRLFREGGATAAELLLLAPGAVQIFYGDESSRPFGPTGSDPLQGTRSEMNWQDVNGKAARSVTHWQKIGQFRARHPAIGMGKQTTLSMSRGYGFVRESGEDKVMVIWAGQQQLEHHHHHH

Source

organism	Klebsiella pneumoniae
ncbi_taxonomy_id	573
host_organism	Escherichia coli B

Entity 2 branched

description	alpha-D-glucopyranose-(1-4)-alpha-D-glucopyranose-(1-4)-alpha-D-glucopyranose-(1-4)-alpha-D-glucopyranose
formula_weight	666.6 kDa
src_method	man
entity_count	1

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	84

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6. Citations (2)

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length_a	163.084 Å
length_b	163.084 Å
length_c	139.376 Å
angle_alpha	90.00 °
angle_beta	90.00 °
angle_gamma	90.00 °
z_pdb	16

space_group	I 4 2 2
int_tables_number	97
crystal_system	—

resolution	2.660 Å
resolution_low	43.060 Å
r_factor	—
r_work	0.1818
r_free	0.2259

fit	/app/data/saxs_computation/us/9us5/9us5.fit
pddf	/app/data/pr_computation/us/9us5/9us5.pr.out
profile	/app/data/saxs_computation/us/9us5/9us5.dat

Domain N deletion mutant of Klebsiella pneumoniae maltohexaose-producing alpha-amylase in complex with maltohexaose

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