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9qn0

Fe(II)-2-oxoglutarate-dependent pseudomonal iron uptake factor C in complex with 2,4-PDCA (Mn)

Method: X-RAY DIFFRACTION D_max: 82.8 Å Quality: GOOD

SAXS Profile

P(r) Distribution

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1. Structure Basics

entry_id	9qn0
deposition_date	2025-03-24
last_revision	2026-04-08
title	Fe(II)-2-oxoglutarate-dependent pseudomonal iron uptake factor C in complex with 2,4-PDCA (Mn)
keywords	2-oxoglutrate, Iron transport, siderophore antibiotics, OXIDOREDUCTASE; OXIDOREDUCTASE
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	25.68 Å
rg_electron	24.63 Å
i0	48567000.00
molecular_weight	52990.0 kDa
excluded_volume	65903 Å³
envelope_volume	80695 Å³
shell_volume	27521 Å³
envelope_diameter	85.9 Å
shell_rg	31.63 Å
envelope_rg	24.66 Å
shape_rg	24.62 Å
total_rg	25.45 Å
total_atoms	3744
n_residues	465
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	82.8 Å
rg_real	25.62 Å
rg_real_error	0.54 Å
i0_real	4.8570e+07
i0_real_error	6.2450e+05
rg_reciprocal	25.64 Å
i0_reciprocal	48570000.0000
total_estimate	0.8990
solution_quality	GOOD a GOOD solution
n_peaks	2
r_peak_primary	28.1 Å
skewness	0.249
kurtosis	-0.473
angular_range	— – 0.3100 Å⁻¹
current_alpha	0.0000
highest_alpha	7601000.0000
n_real_points	63
gnom_version	4.1.3
quality_criteria	AN1: 0.000; Oscil: 0.904; Stabil: 1.000; Sysdev: 1.000; Positv: 1.000; Valcen: 1.000; Smooth: 0.971

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4. Crystallography & Experiment

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5. Entities & Polymer Info (5)

Entity 1 polymer

description	PKHD-type hydroxylase PiuC
formula_weight	27221.6 kDa
ec_number	1.14.11.-
src_method	man
entity_count	2

Polymer

type	polypeptide(L)
strand_id	A,B
atom_count	4166

MGSSHHHHHHQGPSSGLLHIPAIFTAEEVSRIRAALEQAEWADGKATAGYQSAKAKHNLQLPQDHPLAREIGEAMLQRLWNHPLFMSAALPLKVFPPLFNCYTGGGSFDFHIDNAVRDVHGGRERVRTDLSSTLFFSDPEDYDGGELVIQDTYGLQQVKLPAGDLVLYPGTSLHKVNPVTRGARYASFFWTQSLVREDSQRTLLFEMDQSIQRLTRDVPDHPSLIRLTGTYHNLLRRWSEL

Source

organism	Pseudomonas aeruginosa
ncbi_taxonomy_id	287
host_organism	Escherichia coli BL21(DE3)

Entity 2 non-polymer

description	MANGANESE (II) ION
formula_weight	54.9 kDa
src_method	syn
entity_count	2

Entity 3 non-polymer

description	PYRIDINE-2,4-DICARBOXYLIC ACID
formula_weight	167.1 kDa
src_method	syn
entity_count	2

Entity 4 non-polymer

description	GLYCEROL
formula_weight	92.1 kDa
src_method	nat
entity_count	1

Entity 5 water

description	water
formula_weight	18.0 kDa
src_method	nat
entity_count	342

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6. Citations (1)

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length_a	81.230 Å
length_b	81.230 Å
length_c	226.426 Å
angle_alpha	90.00 °
angle_beta	90.00 °
angle_gamma	120.00 °
z_pdb	18

space_group	H 3
int_tables_number	146
crystal_system	—

resolution	1.900 Å
resolution_low	59.750 Å
r_factor	0.1636
r_work	0.1626
r_free	0.1850

fit	/app/data/saxs_computation/qn/9qn0/9qn0.fit
pddf	/app/data/pr_computation/qn/9qn0/9qn0.pr.out
profile	/app/data/saxs_computation/qn/9qn0/9qn0.dat