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1dyq

STAPHYLOCOCCAL ENTEROTOXIN A MUTANT VACCINE

Method: X-RAY DIFFRACTION D_max: 57.4 Å Quality: EXCELLENT

SAXS Profile

P(r) Distribution

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1. Structure Basics

entry_id	1dyq
deposition_date	2000-02-05
title	STAPHYLOCOCCAL ENTEROTOXIN A MUTANT VACCINE
keywords	ENTEROTOXIN, STAPHYLOCOCCAL ENTEROTOXIN TYPE A, VACCINE; ENTEROTOXIN
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	18.97 Å
rg_electron	17.77 Å
i0	12815700.00
molecular_weight	26501.0 kDa
excluded_volume	33026 Å³
envelope_volume	38068 Å³
shell_volume	17826 Å³
envelope_diameter	58.0 Å
shell_rg	24.07 Å
envelope_rg	18.05 Å
shape_rg	17.76 Å
total_rg	18.76 Å
total_atoms	1867
n_residues	228
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	57.4 Å
rg_real	18.86 Å
rg_real_error	0.24 Å
i0_real	1.2820e+07
i0_real_error	1.4260e+05
rg_reciprocal	18.88 Å
i0_reciprocal	12820000.0000
total_estimate	0.9074
solution_quality	EXCELLENT a EXCELLENT solution
n_peaks	2
r_peak_primary	23.9 Å
skewness	0.154
kurtosis	-0.507
angular_range	— – 0.4200 Å⁻¹
current_alpha	0.0000
highest_alpha	2646000.0000
n_real_points	73
gnom_version	4.1.3
quality_criteria	AN1: 0.000; Oscil: 0.954; Stabil: 1.000; Sysdev: 1.000; Positv: 1.000; Valcen: 0.994; Smooth: 0.935

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4. Crystallography & Experiment

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5. Entities & Polymer Info (4)

Entity 1 polymer

description	Enterotoxin type A
formula_weight	27255.5 kDa
mutation	YES
src_method	man
entity_count	1

Polymer

type	polypeptide(L)
strand_id	A
atom_count	2382

MSEKSEEINEKDLRKKSELQGTALGNLKQIYYYNEKAKTENKESHDQFRQHTILFKGFFTDHSWYNDLLVRFDSKDIVDKYKGKKVDLYGAYAGYQCAGGTPNKTACMYGGVTLHDNNRLTEEKKVPINLWLDGKQNTVPLETVKTNKKNVTVQELDLQARRYLQEKYNLYNSDVFDGKVQRGLIVFHTSTEPSVNYDLFGAQGQYSNTLLRIYRDNKTINSENMHIDIYLYTS

Source

organism	Staphylococcus aureus
ncbi_taxonomy_id	1280
host_organism	ESCHERICHIA COLI

Entity 2 non-polymer

description	ZINC ION
formula_weight	65.4 kDa
src_method	syn
entity_count	1

Entity 3 non-polymer

description	SULFATE ION
formula_weight	96.1 kDa
src_method	syn
entity_count	1

Entity 4 water

description	water
formula_weight	18.0 kDa
src_method	nat
entity_count	494

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6. Citations (1)

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length_a	39.048 Å
length_b	78.652 Å
length_c	86.374 Å
angle_alpha	90.00 °
angle_beta	90.00 °
angle_gamma	90.00 °
z_pdb	4

space_group	P 21 21 21
int_tables_number	19
crystal_system	—

resolution	1.500 Å
resolution_low	43.187 Å
r_factor	—
r_work	0.1910
r_free	0.2360

fit	/app/data/saxs_computation/dy/1dyq/1dyq.fit
pddf	/app/data/pr_computation/dy/1dyq/1dyq.pr.out
profile	/app/data/saxs_computation/dy/1dyq/1dyq.dat

STAPHYLOCOCCAL ENTEROTOXIN A MUTANT VACCINE

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