INSECTICIDAL TOXIN: STRUCTURE AND CHANNEL FORMATION

Method: X-RAY DIFFRACTION D_max: 89.5 Å Quality: REASONABLE

SAXS Profile

P(r) Distribution

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1. Structure Basics

entry_id	1ciy
deposition_date	1995-06-01
title	INSECTICIDAL TOXIN: STRUCTURE AND CHANNEL FORMATION
keywords	TOXIN, DELTA-ENDOTOXIN CRYIA(A), ICP; TOXIN
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	26.39 Å
rg_electron	25.29 Å
i0	67361600.00
molecular_weight	64542.0 kDa
excluded_volume	80849 Å³
envelope_volume	94367 Å³
shell_volume	31047 Å³
envelope_diameter	93.2 Å
shell_rg	32.62 Å
envelope_rg	25.53 Å
shape_rg	25.28 Å
total_rg	26.07 Å
total_atoms	4571
n_residues	577
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	89.5 Å
rg_real	26.32 Å
rg_real_error	0.64 Å
i0_real	6.7360e+07
i0_real_error	1.0400e+06
rg_reciprocal	26.34 Å
i0_reciprocal	67360000.0000
total_estimate	0.6820
solution_quality	REASONABLE a REASONABLE solution
n_peaks	2
r_peak_primary	31.3 Å
skewness	0.287
kurtosis	-0.269
angular_range	— – 0.3000 Å⁻¹
current_alpha	0.0000
highest_alpha	13810000.0000
n_real_points	61
gnom_version	4.1.3
quality_criteria	AN1: 0.000; Oscil: 0.818; Stabil: 1.000; Sysdev: 0.145; Positv: 1.000; Valcen: 0.991; Smooth: 0.980

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4. Crystallography & Experiment

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5. Entities & Polymer Info (2)

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6. Citations (3)

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length_a	54.000 Å
length_b	111.500 Å
length_c	154.600 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	2.250 Å
resolution_low	8.000 Å
r_factor	0.1630
r_work	0.1630
r_free	0.2480

description	CRYIA(A)
formula_weight	66166.9 kDa
src_method	man
entity_count	1

type	polypeptide(L)
strand_id	A
atom_count	4693

INSECTICIDAL TOXIN: STRUCTURE AND CHANNEL FORMATION

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 (3)

7. Files & Curves (10)

Files (7)

Curves (3)

organism	Bacillus thuringiensis
ncbi_taxonomy_id	1428
host_organism	Escherichia coli

description	water
formula_weight	18.0 kDa
src_method	nat
entity_count	122

fit	/app/data/saxs_computation/ci/1ciy/1ciy.fit
pddf	/app/data/pr_computation/ci/1ciy/1ciy.pr.out
profile	/app/data/saxs_computation/ci/1ciy/1ciy.dat