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1ca1

ALPHA-TOXIN FROM CLOSTRIDIUM PERFRINGENS

Method: X-RAY DIFFRACTION D_max: 72.5 Å Quality: GOOD

SAXS Profile

P(r) Distribution

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1. Structure Basics

entry_id	1ca1
deposition_date	1998-04-22
title	ALPHA-TOXIN FROM CLOSTRIDIUM PERFRINGENS
keywords	ZINC PHOSPHOLIPASE C, GANGRENE DETERMINANT, C2 DOMAIN, CA AND MEMBRANE BINDING, HYDROLASE; 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	22.31 Å
rg_electron	21.35 Å
i0	36733900.00
molecular_weight	43962.0 kDa
excluded_volume	53316 Å³
envelope_volume	61020 Å³
shell_volume	23919 Å³
envelope_diameter	77.2 Å
shell_rg	28.04 Å
envelope_rg	21.49 Å
shape_rg	21.23 Å
total_rg	22.43 Å
total_atoms	3022
n_residues	370
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	72.5 Å
rg_real	22.24 Å
rg_real_error	0.36 Å
i0_real	3.6730e+07
i0_real_error	4.5960e+05
rg_reciprocal	22.26 Å
i0_reciprocal	36730000.0000
total_estimate	0.8954
solution_quality	GOOD a GOOD solution
n_peaks	2
r_peak_primary	27.5 Å
skewness	0.263
kurtosis	-0.373
angular_range	— – 0.3550 Å⁻¹
current_alpha	0.0000
highest_alpha	6066000.0000
n_real_points	67
gnom_version	4.1.3
quality_criteria	AN1: 0.000; Oscil: 0.879; Stabil: 1.000; Sysdev: 1.000; Positv: 1.000; Valcen: 1.000; Smooth: 0.999

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4. Crystallography & Experiment

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5. Entities & Polymer Info (4)

Entity 1 polymer

description	ALPHA-TOXIN
formula_weight	42615.9 kDa
ec_number	3.1.4.3
src_method	man
entity_count	1

Polymer

type	polypeptide(L)
strand_id	A
atom_count	3195

WDGKIDGTGTHAMIVTQGVSILENDLSKNEPESVRKNLEILKENMHELQLGSTYPDYDKNAYDLYQDHFWDPDTDNNFSKDNSWYLAYSIPDTGESQIRKFSALARYEWQRGNYKQATFYLGEAMHYFGDIDTPYHPANVTAVDSAGHVKFETFAEERKEQYKINTVGCKTNEDFYADILKNKDFNAWSKEYARGFAKTGKSIYYSHASMSHSWDDWDYAAKVTLANSQKGTAGYIYRFLHDVSEGNDPSVGKNVKELVAYISTSGEKDAGTDDYMYFGIKTKDGKTQEWEMDNPGNDFMTGSKDTYTFKLKDENLKIDDIQNMWIRKRKYTAFPDAYKPENIKVIANGKVVVDKDINEWISGNSTYNIK

Source

organism	Clostridium perfringens
ncbi_taxonomy_id	1502
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	CADMIUM ION
formula_weight	112.4 kDa
src_method	syn
entity_count	12

Entity 4 water

description	water
formula_weight	18.0 kDa
src_method	nat
entity_count	173

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6. Citations (2)

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length_a	61.300 Å
length_b	177.300 Å
length_c	79.100 Å
angle_alpha	90.00 °
angle_beta	90.00 °
angle_gamma	90.00 °
z_pdb	8

space_group	C 2 2 21
int_tables_number	20
crystal_system	—

resolution	1.900 Å
resolution_low	25.000 Å
r_factor	0.2080
r_work	0.2080
r_free	0.2540

fit	/app/data/saxs_computation/ca/1ca1/1ca1.fit
pddf	/app/data/pr_computation/ca/1ca1/1ca1.pr.out
profile	/app/data/saxs_computation/ca/1ca1/1ca1.dat

ALPHA-TOXIN FROM CLOSTRIDIUM PERFRINGENS

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