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9qn1

Fe(II)-2-oxoglutarate-dependent pseudomonal iron uptake factor C in complex with N-Oxalylglycine (Mn)

Method: X-RAY DIFFRACTION D_max: 104.1 Å Quality: GOOD

SAXS Profile

P(r) Distribution

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1. Structure Basics

entry_id	9qn1
deposition_date	2025-03-24
last_revision	2026-04-08
title	Fe(II)-2-oxoglutarate-dependent pseudomonal iron uptake factor C in complex with N-Oxalylglycine (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	34.09 Å
rg_electron	33.01 Å
i0	374167000.00
molecular_weight	154510.0 kDa
excluded_volume	192690 Å³
envelope_volume	236500 Å³
shell_volume	57200 Å³
envelope_diameter	106.9 Å
shell_rg	41.46 Å
envelope_rg	32.85 Å
shape_rg	33.04 Å
total_rg	33.52 Å
total_atoms	10911
n_residues	1350
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	104.1 Å
rg_real	33.88 Å
rg_real_error	0.63 Å
i0_real	3.7420e+08
i0_real_error	5.2890e+06
rg_reciprocal	34.01 Å
i0_reciprocal	374200000.0000
total_estimate	0.8946
solution_quality	GOOD a GOOD solution
n_peaks	1
r_peak_primary	45.3 Å
skewness	0.084
kurtosis	-0.468
angular_range	— – 0.2300 Å⁻¹
current_alpha	0.0000
highest_alpha	334000000.0000
n_real_points	47
gnom_version	4.1.3
quality_criteria	AN1: 0.000; Oscil: 0.906; Stabil: 1.000; Sysdev: 1.000; Positv: 1.000; Valcen: 0.969; Smooth: 0.939

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4. Crystallography & Experiment

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5. Entities & Polymer Info (6)

Entity 1 polymer

description	PKHD-type hydroxylase PiuC
formula_weight	26291.5 kDa
ec_number	1.14.11.-
src_method	man
entity_count	6

Polymer

type	polypeptide(L)
strand_id	A,B,C,D,E,F
atom_count	11628

GGSGGGGGGSSGLLHIPAIFTAEEVSRIRAALEQAEWADGKATAGYQSAKAKHNLQLPQDHPLAREIGEAMLQRLWNHPLFMSAALPLKVFPPLFNCYTGGGSFDFHIDNAVRDVHGGRERVRTDLSSTLFFSDPEDYDGGELVIQDTYGLQQVKLPAGDLVLYPGTSLHKVNPVTRGARYASFFWTQSLVREDSQRTLLFEMDQSIQRLTRDVPDHPSLIRLTGTYHNLLRRWSEL

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	6

Entity 3 non-polymer

description	N-OXALYLGLYCINE
formula_weight	147.1 kDa
src_method	syn
entity_count	6

Entity 4 non-polymer

description	DI(HYDROXYETHYL)ETHER
formula_weight	106.1 kDa
src_method	nat
entity_count	3

Entity 5 non-polymer

description	GLYCEROL
formula_weight	92.1 kDa
src_method	syn
entity_count	1

Entity 6 water

description	water
formula_weight	18.0 kDa
src_method	nat
entity_count	669

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6. Citations (1)

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length_a	80.833 Å
length_b	80.761 Å
length_c	89.099 Å
angle_alpha	116.97 °
angle_beta	90.05 °
angle_gamma	119.94 °
z_pdb	6

space_group	P 1
int_tables_number	1
crystal_system	—

resolution	1.850 Å
resolution_low	44.170 Å
r_factor	0.1788
r_work	0.1772
r_free	0.2092

fit	/app/data/saxs_computation/qn/9qn1/9qn1.fit
pddf	/app/data/pr_computation/qn/9qn1/9qn1.pr.out
profile	/app/data/saxs_computation/qn/9qn1/9qn1.dat