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9qnq

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

Method: X-RAY DIFFRACTION D_max: 111.5 Å Quality: REASONABLE

SAXS Profile

P(r) Distribution

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1. Structure Basics

entry_id	9qnq
deposition_date	2025-03-25
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	33.88 Å
rg_electron	33.75 Å
i0	143665000.00
molecular_weight	65202.0 kDa
excluded_volume	63737 Å³
envelope_volume	117070 Å³
shell_volume	30530 Å³
envelope_diameter	119.5 Å
shell_rg	38.01 Å
envelope_rg	33.32 Å
shape_rg	33.74 Å
total_rg	34.04 Å
total_atoms	4957
n_residues	594
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	111.5 Å
rg_real	34.12 Å
rg_real_error	1.09 Å
i0_real	1.4370e+08
i0_real_error	2.4970e+06
rg_reciprocal	33.98 Å
i0_reciprocal	143600000.0000
total_estimate	0.6513
solution_quality	REASONABLE a REASONABLE solution
n_peaks	2
r_peak_primary	30.8 Å
skewness	0.464
kurtosis	-0.507
angular_range	— – 0.2350 Å⁻¹
current_alpha	0.0000
highest_alpha	8946000.0000
n_real_points	48
gnom_version	4.1.3
quality_criteria	AN1: 0.000; Oscil: 0.828; Stabil: 1.000; Sysdev: 0.214; Positv: 1.000; Valcen: 0.722; Smooth: 0.612

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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	5092

MGSSHHHHHHSSGLVPRGSHMRTYTFDQVEKAIEQLYPDFTINTIEISGEGNDCIAYEINRDFIFKFPKHSRGSTNLFNEVNILKRIHNKLPLPIPEVVFTGMPSETYQMSFAGFTKIKGVPLTPLLLNNLPKQSQNQAAKDLARFLSELHSINISGFKSNLVLDFREKINEDNKKIKKLLSRELKGPQMKKVDDFYRDILENEIYFKYYPCLIHNDFSSDHILFDTEKNTICGIIDFGDAAISDPDNDFISLMEDDEEYGMEFVSKILNHYKHKDIPTVLEKYRMKEKYWSFEKIIYGKEYGYMDWYEEGLNEIRSIKIK

Source

organism	Enterococcus casseliflavus
ncbi_taxonomy_id	37734
host_organism	Escherichia coli

Entity 2 non-polymer

description	5-chloranylpyridin-2-amine
formula_weight	128.6 kDa
src_method	syn
entity_count	2

Entity 3 non-polymer

description	DIMETHYL SULFOXIDE
formula_weight	78.1 kDa
src_method	syn
entity_count	3

Entity 4 water

description	water
formula_weight	18.0 kDa
src_method	nat
entity_count	130

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6. Citations (1)

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length_a	75.787 Å
length_b	65.120 Å
length_c	76.900 Å
angle_alpha	90.00 °
angle_beta	91.68 °
angle_gamma	90.00 °
z_pdb	4

space_group	P 1 21 1
int_tables_number	4
crystal_system	—

resolution	2.380 Å
resolution_low	49.690 Å
r_factor	0.2264
r_work	0.2230
r_free	0.2961

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