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1eu3

CRYSTAL STRUCTURE OF THE SUPERANTIGEN SMEZ-2 (ZINC BOUND) FROM STREPTOCOCCUS PYOGENES

Method: X-RAY DIFFRACTION D_max: 84.5 Å Quality: GOOD

SAXS Profile

P(r) Distribution

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1. Structure Basics

entry_id	1eu3
deposition_date	2000-04-13
title	CRYSTAL STRUCTURE OF THE SUPERANTIGEN SMEZ-2 (ZINC BOUND) FROM STREPTOCOCCUS PYOGENES
keywords	beta grasp, OB fold, superantigen fold, IMMUNE SYSTEM; IMMUNE SYSTEM
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	26.83 Å
rg_electron	26.17 Å
i0	38439000.00
molecular_weight	48659.0 kDa
excluded_volume	61084 Å³
envelope_volume	75772 Å³
shell_volume	24894 Å³
envelope_diameter	89.9 Å
shell_rg	32.61 Å
envelope_rg	26.20 Å
shape_rg	26.14 Å
total_rg	27.02 Å
total_atoms	3434
n_residues	418
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	84.5 Å
rg_real	26.89 Å
rg_real_error	0.76 Å
i0_real	3.8440e+07
i0_real_error	5.8600e+05
rg_reciprocal	26.87 Å
i0_reciprocal	38440000.0000
total_estimate	0.8972
solution_quality	GOOD a GOOD solution
n_peaks	2
r_peak_primary	27.2 Å
skewness	0.351
kurtosis	-0.546
angular_range	— – 0.2950 Å⁻¹
current_alpha	0.0000
highest_alpha	5828000.0000
n_real_points	60
gnom_version	4.1.3
quality_criteria	AN1: 0.000; Oscil: 0.935; Stabil: 1.000; Sysdev: 1.000; Positv: 1.000; Valcen: 0.942; Smooth: 0.911

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4. Crystallography & Experiment

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5. Entities & Polymer Info (5)

Entity 1 polymer

description	SUPERANTIGEN SMEZ-2
formula_weight	24218.1 kDa
src_method	man
entity_count	2

Polymer

type	polypeptide(L)
strand_id	A,B
atom_count	3850

GLEVDNNSLLRNIYSTIVYEYSDIVIDFKTSHNLVTKKLDVRDARDFFINSEMDEYAANDFKTGDKIAVFSVPFDWNYLSKGKVTAYTYGGITPYQKTSIPKNIPVNLWINGKQISVPYNEISTNKTTVTAQEIDLKVRKFLIAQHQLYSSGSSYKSGRLVFHTNDNSDKYSFDLFYVGYRDKESIFKVYKDNKSFNIDKIGHLDIEIDS

Source

organism	Streptococcus pyogenes
ncbi_taxonomy_id	1314
host_organism	Escherichia coli

Entity 2 non-polymer

description	ZINC ION
formula_weight	65.4 kDa
src_method	syn
entity_count	2

Entity 3 non-polymer

description	POTASSIUM ION
formula_weight	39.1 kDa
src_method	syn
entity_count	1

Entity 4 non-polymer

description	PHOSPHATE ION
formula_weight	95.0 kDa
src_method	syn
entity_count	3

Entity 5 water

description	water
formula_weight	18.0 kDa
src_method	nat
entity_count	416

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6. Citations (1)

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length_a	148.230 Å
length_b	39.960 Å
length_c	104.070 Å
angle_alpha	90.00 °
angle_beta	134.05 °
angle_gamma	90.00 °
z_pdb	8

space_group	C 1 2 1
int_tables_number	5
crystal_system	—

resolution	1.680 Å
resolution_low	37.050 Å
r_factor	0.2070
r_work	0.2070
r_free	0.2300

fit	/app/data/saxs_computation/eu/1eu3/1eu3.fit
pddf	/app/data/pr_computation/eu/1eu3/1eu3.pr.out
profile	/app/data/saxs_computation/eu/1eu3/1eu3.dat