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9uc1

Crystal structure of voltage-gated sodium channel NavAb N49K/S178T mutant

Method: X-RAY DIFFRACTION D_max: 86.2 Å Quality: GOOD

SAXS Profile

P(r) Distribution

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1. Structure Basics

entry_id	9uc1
deposition_date	2025-04-03
title	Crystal structure of voltage-gated sodium channel NavAb N49K/S178T mutant
keywords	ion channel, MEMBRANE PROTEIN; MEMBRANE PROTEIN
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	26.72 Å
rg_electron	25.34 Å
i0	11394500.00
molecular_weight	33158.0 kDa
excluded_volume	44977 Å³
envelope_volume	59876 Å³
shell_volume	20591 Å³
envelope_diameter	88.5 Å
shell_rg	31.33 Å
envelope_rg	24.54 Å
shape_rg	25.33 Å
total_rg	26.37 Å
total_atoms	2320
n_residues	229
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	86.2 Å
rg_real	26.70 Å
rg_real_error	0.69 Å
i0_real	1.1390e+07
i0_real_error	1.8870e+05
rg_reciprocal	26.71 Å
i0_reciprocal	11390000.0000
total_estimate	0.8607
solution_quality	GOOD a GOOD solution
n_peaks	3
r_peak_primary	40.9 Å
skewness	0.103
kurtosis	-0.641
angular_range	— – 0.2950 Å⁻¹
current_alpha	0.0000
highest_alpha	961700.0000
n_real_points	60
gnom_version	4.1.3
quality_criteria	AN1: 0.000; Oscil: 0.779; Stabil: 1.000; Sysdev: 1.000; Positv: 1.000; Valcen: 0.869; Smooth: 0.978

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4. Crystallography & Experiment

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5. Entities & Polymer Info (6)

Entity 1 polymer

description	Ion transport protein
formula_weight	31411.3 kDa
mutation	N49K, S178T
src_method	man
entity_count	1

Polymer

type	polypeptide(L)
strand_id	A
atom_count	2345

GSGSMYLRITNIVESSFFTKFIIYLIVLNGITMGLETSKTFMQSFGVYTTLFKQIVITIFTIEIILRIYVHRISFFKDPWSLFDFFVVAISLVPTSSGFEILRVLRVLRLFRLVTAVPQMRKIVSALISVIPGMLSVIALMTLFFYIFAIMATQLFGERFPEWFGTLGESFYTLFQVMTLETWSMGIVRPLMEVYPYAWVFFIPFIFVVTFVMINLVVAIIVDAMAILNQKEEQHIIDEVQSHEDNINNEIIKLREEIVELKELIKTSLKN

Source

organism	Aliarcobacter butzleri
ncbi_taxonomy_id	28197
host_organism	Escherichia coli

Entity 2 non-polymer

description	CALCIUM ION
formula_weight	40.1 kDa
src_method	syn
entity_count	3

Entity 3 non-polymer

description	CHAPSO
formula_weight	631.9 kDa
src_method	syn
entity_count	1

Entity 4 non-polymer

description	DODECYL-BETA-D-MALTOSIDE
formula_weight	510.6 kDa
src_method	syn
entity_count	1

Entity 5 non-polymer

description	1,2-DIMYRISTOYL-SN-GLYCERO-3-PHOSPHOCHOLINE
formula_weight	678.9 kDa
src_method	syn
entity_count	8

Entity 6 water

description	water
formula_weight	18.0 kDa
src_method	nat
entity_count	25

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6. Citations (1)

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length_a	127.954 Å
length_b	127.954 Å
length_c	200.346 Å
angle_alpha	90.00 °
angle_beta	90.00 °
angle_gamma	90.00 °
z_pdb	16

space_group	I 4 2 2
int_tables_number	97
crystal_system	tetragonal

resolution	2.500 Å
resolution_low	45.240 Å
r_factor	0.2549
r_work	0.2542
r_free	0.2737

fit	/app/data/saxs_computation/uc/9uc1/9uc1.fit
pddf	/app/data/pr_computation/uc/9uc1/9uc1.pr.out
profile	/app/data/saxs_computation/uc/9uc1/9uc1.dat