CRYSTAL STRUCTURE OF EXFOLIATIVE TOXIN A S195A MUTANT

Method: X-RAY DIFFRACTION D_max: 65.8 Å Quality: REASONABLE

SAXS Profile

P(r) Distribution

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1. Structure Basics

entry_id	1due
deposition_date	2000-01-17
title	CRYSTAL STRUCTURE OF EXFOLIATIVE TOXIN A S195A MUTANT
keywords	superantigens, protease, epidermis, TOXIN, HYDROLASE; TOXIN, HYDROLASE
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	18.99 Å
rg_electron	17.74 Å
i0	13268000.00
molecular_weight	26930.0 kDa
excluded_volume	33601 Å³
envelope_volume	38412 Å³
shell_volume	18064 Å³
envelope_diameter	68.3 Å
shell_rg	24.05 Å
envelope_rg	18.23 Å
shape_rg	17.71 Å
total_rg	18.77 Å
total_atoms	1904
n_residues	242
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	65.8 Å
rg_real	18.92 Å
rg_real_error	0.47 Å
i0_real	1.3270e+07
i0_real_error	1.8030e+05
rg_reciprocal	18.93 Å
i0_reciprocal	13270000.0000
total_estimate	0.6053
solution_quality	REASONABLE a REASONABLE solution
n_peaks	3
r_peak_primary	23.8 Å
skewness	0.292
kurtosis	-0.164
angular_range	— – 0.4200 Å⁻¹
current_alpha	0.0000
highest_alpha	3579000.0000
n_real_points	73
gnom_version	4.1.3
quality_criteria	AN1: 0.000; Oscil: 0.717; Stabil: 0.999; Sysdev: 0.242; Positv: 1.000; Valcen: 0.990; Smooth: 0.000

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4. Crystallography & Experiment

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5. Entities & Polymer Info (2)

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6. Citations (1)

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length_a	47.002 Å
length_b	67.366 Å
length_c	48.076 Å
angle_alpha	90.00 °
angle_beta	118.21 °
angle_gamma	90.00 °
z_pdb	2

space_group	P 1 21 1
int_tables_number	4
crystal_system	—

resolution	2.000 Å
resolution_low	20.000 Å
r_factor	0.2140
r_work	0.2140
r_free	0.2380

description	EXFOLIATIVE TOXIN A
formula_weight	26969.1 kDa
ec_number	3.4.21.-
mutation	S195A
src_method	man
entity_count	1

type	polypeptide(L)
strand_id	A
atom_count	1945

CRYSTAL STRUCTURE OF EXFOLIATIVE TOXIN A S195A MUTANT

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

5. Entities & Polymer Info (2)

Entity 1 polymer

Polymer

Source

Entity 2 water

6. Citations (1)

7. Files & Curves (10)

Files (7)

Curves (3)

organism	Staphylococcus aureus
ncbi_taxonomy_id	1280
host_organism	Escherichia coli

description	water
formula_weight	18.0 kDa
src_method	nat
entity_count	41

fit	/app/data/saxs_computation/du/1due/1due.fit
pddf	/app/data/pr_computation/du/1due/1due.pr.out
profile	/app/data/saxs_computation/du/1due/1due.dat