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9q4s

;Structure of rat neuronal nitric oxide synthase R349A mutant heme domain bound with 6-((5-(2-(azetidin-1-yl)ethyl)-2,3-difluorophenxy)methyl)-4-methylpyridin-2-amine ;

Method: X-RAY DIFFRACTION Dmax: 83.3 Å Quality: GOOD

SAXS Profile

SAXS profile for 9q4s

P(r) Distribution

P(r) distribution for 9q4s
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1. Structure Basics

entry_id9q4s
deposition_date2025-08-20
title;Structure of rat neuronal nitric oxide synthase R349A mutant heme domain bound with 6-((5-(2-(azetidin-1-yl)ethyl)-2,3-difluorophenxy)methyl)-4-methylpyridin-2-amine ;
keywordsnitric oxide synthase inhibitor binding, OXIDOREDUCTASE-INHIBITOR complex, OXIDOREDUCTASE; OXIDOREDUCTASE/INHIBITOR
methodX-RAY DIFFRACTION
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Download Data

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2. SAXS Parameters (CRYSOL)

rg_guinier23.40 Å
rg_electron22.61 Å
i075631000.00
molecular_weight45786.0 kDa
excluded_volume44407 ų
envelope_volume72751 ų
shell_volume26614 ų
envelope_diameter85.2 Å
shell_rg29.94 Å
envelope_rg22.95 Å
shape_rg22.60 Å
total_rg23.26 Å
total_atoms3462
n_residues415
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)

dmax83.3 Å
rg_real23.34 Å
rg_real_error0.64 Å
i0_real7.5630e+07
i0_real_error9.1030e+05
rg_reciprocal23.35 Å
i0_reciprocal75630000.0000
total_estimate0.8535
solution_quality GOOD a GOOD solution
n_peaks2
r_peak_primary28.2 Å
skewness0.316
kurtosis-0.193
angular_range— – 0.3400 Å−1
current_alpha0.0000
highest_alpha13180000.0000
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: 0.979; Smooth: 0.989
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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)