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9yat

Rana catesbeiana saxiphilin mutant - T563A

Method: X-RAY DIFFRACTION D_max: 147.6 Å Quality: GOOD

SAXS Profile

P(r) Distribution

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1. Structure Basics

entry_id	9yat
deposition_date	2025-09-16
last_revision	2026-05-27
title	Rana catesbeiana saxiphilin mutant - T563A
keywords	Saxiphilin, Toxin resistance, Saxitoxin, ANTITOXIN; ANTITOXIN
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	44.67 Å
rg_electron	44.18 Å
i0	520343000.00
molecular_weight	182410.0 kDa
excluded_volume	226150 Å³
envelope_volume	330960 Å³
shell_volume	61833 Å³
envelope_diameter	149.4 Å
shell_rg	49.86 Å
envelope_rg	43.07 Å
shape_rg	44.20 Å
total_rg	44.39 Å
total_atoms	12751
n_residues	1654
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	147.6 Å
rg_real	44.66 Å
rg_real_error	1.23 Å
i0_real	5.2030e+08
i0_real_error	9.7950e+06
rg_reciprocal	44.67 Å
i0_reciprocal	520300000.0000
total_estimate	0.8940
solution_quality	GOOD a GOOD solution
n_peaks	1
r_peak_primary	50.6 Å
skewness	0.257
kurtosis	-0.543
angular_range	— – 0.1750 Å⁻¹
current_alpha	0.0000
highest_alpha	28050000.0000
n_real_points	36
gnom_version	4.1.3
quality_criteria	AN1: 0.000; Oscil: 0.927; Stabil: 1.000; Sysdev: 1.000; Positv: 1.000; Valcen: 0.990; Smooth: 0.848

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4. Crystallography & Experiment

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5. Entities & Polymer Info (2)

Entity 1 polymer

description	Saxiphilin
formula_weight	94198.3 kDa
mutation	T563A
src_method	man
entity_count	2

Polymer

type	polypeptide(L)
strand_id	A,B
atom_count	12922

MAPTFQTALFFTIISLSFAAPNAKQVRWCAISDLEQKKCNDLVGSCNVPDITLVCVLRSSTEDCMTAIKDGQADAMFLDSGEVYEASKDPYNLKPIIAEPYSSNRDLQKCLKERQQALAKKMIGHYIPQCDEKGNYQPQQCHGSTGHCWCVNAMGEKISGTNTPPGQTRATCERHELPKCLKERQVALGGDEKVLGRFVPQCDEKGNYEPQQFHGSTGYSWCVNAIGEEIAGTKTPPGKIPATCQKHDLVTTCHYAVAMVKKSSAFQFNQLKGKRSCHSGVSKTDGWKALVTVLVEKKLLSWDGPAKESIQRAMSKFFSVSCIPGATQTNLCKQCKGEEGKNCKNSHDEPYYGNYGAFRCLKEDMGDVAFLRSTALSDEHSEVYELLCPDNTRKPLNKYKECNLGTVPAGTVVTRKISDKTEDINNFLMEAQKRQCKLFSSAHGKDLMFDDSTLQLALLSSEVDAFLYLGVKLFHAMKALTGDAHLPSKNKVRWCTINKLEKMKCDDWSAVSGGAIACTEASCPKGCVKQILKGEADAVKLEVQYMYEALMCGLLPAVEEYHNKDDFGPCKTPGSPYTDFGALRAVALVKKSNKDINWNNIKGKKSCHTGVGDIAGWVIPVSLIRRQNDNSDIDSFFGESCAPGSDTKSNLCKLCIGDPKNSAANTKCSLSDKEAYYGNQGAFRCLVEKGDVAFVPHTVVFENTDGKNPAVWAKNLKSEDFELLCLDGSRAPVSNYKSCKLSGIPPPAIVTREESISDVVRIVANQQSLYGRKGFEKDMFQLFSSNKGNNLLFNDNTQCLITFDRQPKDIMEDYFGKPYYTTVYGASRSAMSSELISACTIKHCSNSLEVLFQ

Source

organism	Aquarana catesbeiana
common_name	American bullfrog
ncbi_taxonomy_id	8400
host_organism	Spodoptera frugiperda

Entity 2 water

description	water
formula_weight	18.0 kDa
src_method	nat
entity_count	171

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6. Citations (1)

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length_a	96.302 Å
length_b	109.695 Å
length_c	253.139 Å
angle_alpha	90.00 °
angle_beta	90.00 °
angle_gamma	90.00 °
z_pdb	8

space_group	P 21 21 21
int_tables_number	19
crystal_system	—

resolution	2.500 Å
resolution_low	47.660 Å
r_factor	0.2088
r_work	0.2068
r_free	0.2458

fit	/app/data/saxs_computation/ya/9yat/9yat.fit
pddf	/app/data/pr_computation/ya/9yat/9yat.pr.out
profile	/app/data/saxs_computation/ya/9yat/9yat.dat

Rana catesbeiana saxiphilin mutant - T563A

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

5. Entities & Polymer Info (2)

Entity 1 polymer

Polymer

Source

Entity 2 water

6. Citations (1)

7. Files & Curves (10)

Files (7)

Curves (3)