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9shr

;Alpha-Hemolysin of S.aureus (monomer) in complex with the small molecule N-(3-(Diethylamino)propyl)-1-(6-(p-tolyl)imidazo[2,1-b][1,3,4]thiadiazol-2-yl)piperidine-4-carboxamide ;

Method: X-RAY DIFFRACTION Dmax: 80.2 Å Quality: GOOD

SAXS Profile

SAXS profile for 9shr

P(r) Distribution

P(r) distribution for 9shr
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1. Structure Basics

entry_id9shr
deposition_date2025-08-27
last_revision2026-03-04
title;Alpha-Hemolysin of S.aureus (monomer) in complex with the small molecule N-(3-(Diethylamino)propyl)-1-(6-(p-tolyl)imidazo[2,1-b][1,3,4]thiadiazol-2-yl)piperidine-4-carboxamide ;
keywordsalpha-Hemolysin, HLA, cytolysin, pore-forming toxin, MRSA, pathoblocker, TOXIN; TOXIN
methodX-RAY DIFFRACTION
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Download Data

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2. SAXS Parameters (CRYSOL)

rg_guinier23.06 Å
rg_electron22.20 Å
i023166000.00
molecular_weight34659.0 kDa
excluded_volume42457 ų
envelope_volume50731 ų
shell_volume20337 ų
envelope_diameter81.2 Å
shell_rg27.83 Å
envelope_rg22.52 Å
shape_rg22.11 Å
total_rg23.19 Å
total_atoms4704
n_residues289
n_harmonics20
q_range— – 0.5000 Å−1
n_points101
shell_typedirectional
solvent_density0.3340 e/ų
contrast_shell0.0300 e/ų
crysol_version4.1.3
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3. P(r) Analysis (GNOM)

dmax80.2 Å
rg_real23.24 Å
rg_real_error0.55 Å
i0_real2.3170e+07
i0_real_error2.8670e+05
rg_reciprocal23.20 Å
i0_reciprocal23170000.0000
total_estimate0.8429
solution_quality GOOD a GOOD solution
n_peaks2
r_peak_primary23.4 Å
skewness0.580
kurtosis-0.106
angular_range— – 0.3450 Å−1
current_alpha0.0000
highest_alpha5457000.0000
n_real_points66
gnom_version4.1.3
quality_criteria AN1: 0.000; Oscil: 0.708; Stabil: 1.000; Sysdev: 1.000; Positv: 1.000; Valcen: 0.848; Smooth: 0.981
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4. Crystallography & Experiment

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5. Entities & Polymer Info (6)

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6. Citations (1)

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7. Files & Curves (10)