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9r0q

Paraoxonase-1 in complex with terbium(III) and 2-hydroxyquinoline

Method: X-RAY DIFFRACTION D_max: 64.5 Å Quality: GOOD

SAXS Profile

P(r) Distribution

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1. Structure Basics

entry_id	9r0q
deposition_date	2025-04-24
title	Paraoxonase-1 in complex with terbium(III) and 2-hydroxyquinoline
keywords	HYDROLASE, ENZYME:INHIBITOR 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	19.84 Å
rg_electron	18.74 Å
i0	24698700.00
molecular_weight	38647.0 kDa
excluded_volume	48374 Å³
envelope_volume	54363 Å³
shell_volume	23061 Å³
envelope_diameter	66.0 Å
shell_rg	26.31 Å
envelope_rg	19.21 Å
shape_rg	18.79 Å
total_rg	19.59 Å
total_atoms	2702
n_residues	338
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	64.5 Å
rg_real	19.68 Å
rg_real_error	0.27 Å
i0_real	2.4700e+07
i0_real_error	3.2920e+05
rg_reciprocal	19.71 Å
i0_reciprocal	24700000.0000
total_estimate	0.8784
solution_quality	GOOD a GOOD solution
n_peaks	2
r_peak_primary	24.5 Å
skewness	0.144
kurtosis	-0.381
angular_range	— – 0.4000 Å⁻¹
current_alpha	0.0000
highest_alpha	7382000.0000
n_real_points	72
gnom_version	4.1.3
quality_criteria	AN1: 0.000; Oscil: 0.808; Stabil: 1.000; Sysdev: 1.000; Positv: 1.000; Valcen: 0.995; Smooth: 0.996

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4. Crystallography & Experiment

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5. Entities & Polymer Info (6)

Entity 1 polymer

description	Serum paraoxonase/arylesterase 1
formula_weight	40149.5 kDa
ec_number	3.1.1.2,3.1.1.81,3.1.8.1
src_method	man
entity_count	1

Polymer

type	polypeptide(L)
strand_id	A
atom_count	2765

DDDKAMAKLTALTLLGMGLALFDRQKSSFQTRFNVHREVTPVELPNCNLVKGIDNGSEDLEILPNGLAFISSGLKYPGIMSFDPDKSGKILLMDLNEKEPAVSELEIIGNTLDISSFNPHGISTFIDDDNTVYLLVVNHPGSSSTVEVFKFQEEEKSLLHLKTIRHKLLPSVNDIVAVGPEHFYATNDHYFIDPYLKSWEMHLGLAWSFVTYYSPNDVRVVAEGFDFANGINISPDGKYVYIAELLAHKIHVYEKHANWTLTPLRVLSFDTLVDNISVDPVTGDLWVGCHPNGMRIFFYDAENPPGSEVLRIQDILSEEPKVTVVYAENGTVLQGSTVAAVYKGKLLIGTVFHKALYCDL

Source

organism	Oryctolagus cuniculus
common_name	rabbit
ncbi_taxonomy_id	9986
host_organism	Escherichia coli B

Entity 2 non-polymer

description	TERBIUM(III) ION
formula_weight	158.9 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 non-polymer

description	QUINOLIN-2(1H)-ONE
formula_weight	145.2 kDa
src_method	syn
entity_count	2

Entity 5 non-polymer

description	BROMIDE ION
formula_weight	79.9 kDa
src_method	syn
entity_count	2

Entity 6 water

description	water
formula_weight	18.0 kDa
src_method	nat
entity_count	60

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6. Citations (1)

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length_a	98.064 Å
length_b	98.064 Å
length_c	138.877 Å
angle_alpha	90.00 °
angle_beta	90.00 °
angle_gamma	90.00 °
z_pdb	8

space_group	P 43 21 2
int_tables_number	96
crystal_system	tetragonal

resolution	2.350 Å
resolution_low	19.820 Å
r_factor	0.1920
r_work	0.1902
r_free	0.2285

fit	/app/data/saxs_computation/r0/9r0q/9r0q.fit
pddf	/app/data/pr_computation/r0/9r0q/9r0q.pr.out
profile	/app/data/saxs_computation/r0/9r0q/9r0q.dat