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9qoe

;APH(2'')-Id with a fragment ;

Method: X-RAY DIFFRACTION D_max: 113.0 Å Quality: REASONABLE

SAXS Profile

P(r) Distribution

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1. Structure Basics

entry_id	9qoe
deposition_date	2025-03-26
last_revision	2026-02-11
title	;APH(2'')-Id with a fragment ;
keywords	inhibitor, complex, enzyme, ANTIBIOTIC; ANTIBIOTIC
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	34.02 Å
rg_electron	33.89 Å
i0	143290000.00
molecular_weight	65294.0 kDa
excluded_volume	63920 Å³
envelope_volume	116990 Å³
shell_volume	30331 Å³
envelope_diameter	121.0 Å
shell_rg	38.06 Å
envelope_rg	33.53 Å
shape_rg	33.84 Å
total_rg	34.22 Å
total_atoms	4972
n_residues	595
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	113.0 Å
rg_real	34.27 Å
rg_real_error	1.22 Å
i0_real	1.4330e+08
i0_real_error	2.6010e+06
rg_reciprocal	34.12 Å
i0_reciprocal	143300000.0000
total_estimate	0.6196
solution_quality	REASONABLE a REASONABLE solution
n_peaks	2
r_peak_primary	31.3 Å
skewness	0.460
kurtosis	-0.516
angular_range	— – 0.2350 Å⁻¹
current_alpha	0.0000
highest_alpha	9086000.0000
n_real_points	48
gnom_version	4.1.3
quality_criteria	AN1: 0.000; Oscil: 0.815; Stabil: 1.000; Sysdev: 0.078; Positv: 1.000; Valcen: 0.695; Smooth: 0.675

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4. Crystallography & Experiment

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5. Entities & Polymer Info (4)

Entity 1 polymer

description	APH(2'')-Id
formula_weight	37596.8 kDa
src_method	man
entity_count	2

Polymer

type	polypeptide(L)
strand_id	A,B
atom_count	5073

MGSSHHHHHHSSGLVPRGSHMRTYTFDQVEKAIEQLYPDFTINTIEISGEGNDCIAYEINRDFIFKFPKHSRGSTNLFNEVNILKRIHNKLPLPIPEVVFTGMPSETYQMSFAGFTKIKGVPLTPLLLNNLPKQSQNQAAKDLARFLSELHSINISGFKSNLVLDFREKINEDNKKIKKLLSRELKGPQMKKVDDFYRDILENEIYFKYYPCLIHNDFSSDHILFDTEKNTICGIIDFGDAAISDPDNDFISLMEDDEEYGMEFVSKILNHYKHKDIPTVLEKYRMKEKYWSFEKIIYGKEYGYMDWYEEGLNEIRSIKIK

Source

organism	Enterococcus casseliflavus
ncbi_taxonomy_id	37734
host_organism	Escherichia coli

Entity 2 non-polymer

description	DIMETHYL SULFOXIDE
formula_weight	78.1 kDa
src_method	syn
entity_count	1

Entity 3 non-polymer

description	5-chloranyl-2-(cyclopropylamino)pyridine-4-carboxylic acid
formula_weight	212.6 kDa
src_method	syn
entity_count	2

Entity 4 water

description	water
formula_weight	18.0 kDa
src_method	nat
entity_count	82

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6. Citations (1)

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length_a	76.170 Å
length_b	65.580 Å
length_c	78.060 Å
angle_alpha	90.00 °
angle_beta	92.13 °
angle_gamma	90.00 °
z_pdb	4

space_group	P 1 21 1
int_tables_number	4
crystal_system	—

resolution	2.300 Å
resolution_low	42.370 Å
r_factor	0.2082
r_work	0.2058
r_free	0.2537

fit	/app/data/saxs_computation/qo/9qoe/9qoe.fit
pddf	/app/data/pr_computation/qo/9qoe/9qoe.pr.out
profile	/app/data/saxs_computation/qo/9qoe/9qoe.dat

;APH(2'')-Id with a fragment ;

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