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1a0t

SUCROSE-SPECIFIC PORIN, WITH BOUND SUCROSE MOLECULES

Method: X-RAY DIFFRACTION D_max: 93.7 Å Quality: GOOD

SAXS Profile

P(r) Distribution

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1. Structure Basics

entry_id	1a0t
deposition_date	1997-12-08
title	SUCROSE-SPECIFIC PORIN, WITH BOUND SUCROSE MOLECULES
keywords	OUTER MEMBRANE PROTEIN, PORIN; OUTER MEMBRANE PROTEIN
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	32.60 Å
rg_electron	31.85 Å
i0	319302000.00
molecular_weight	138020.0 kDa
excluded_volume	170080 Å³
envelope_volume	211820 Å³
shell_volume	52701 Å³
envelope_diameter	94.1 Å
shell_rg	41.02 Å
envelope_rg	31.41 Å
shape_rg	31.86 Å
total_rg	32.53 Å
total_atoms	9747
n_residues	1239
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	93.7 Å
rg_real	32.31 Å
rg_real_error	0.39 Å
i0_real	3.1930e+08
i0_real_error	4.3040e+06
rg_reciprocal	32.44 Å
i0_reciprocal	319300000.0000
total_estimate	0.8399
solution_quality	GOOD a GOOD solution
n_peaks	1
r_peak_primary	40.2 Å
skewness	0.031
kurtosis	-0.643
angular_range	— – 0.2450 Å⁻¹
current_alpha	0.0000
highest_alpha	36200000.0000
n_real_points	50
gnom_version	4.1.3
quality_criteria	AN1: 0.000; Oscil: 0.978; Stabil: 1.000; Sysdev: 1.000; Positv: 1.000; Valcen: 0.980; Smooth: 0.000

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4. Crystallography & Experiment

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5. Entities & Polymer Info (4)

Entity 1 polymer

description	SUCROSE-SPECIFIC PORIN
formula_weight	45333.7 kDa
src_method	man
entity_count	3

Polymer

type	polypeptide(L)
strand_id	P,Q,R
atom_count	10077

SGFEFHGYARSGVIMNDSGASTKSGAYITPAGETGGAIGRLGNQADTYVEMNLEHKQTLDNGATTRFKVMVADGQTSYNDWTASTSDLNVRQAFVELGNLPTFAGPFKGSTLWAGKRFDRDNFDIHWIDSDVVFLAGTGGGIYDVKWNDGLRSNFSLYGRNFGDIDDSSNSVQNYILTMNHFAGPLQMMVSGLRAKDNDERKDSNGNLAKGDAANTGVHALLGLHNDSFYGLRDGSSKTALLYGHGLGAEVKGIGSDGALRPGADTWRIASYGTTPLSENWSVAPAMLAQRSKDRYADGDSYQWATFNLRLIQAINQNFALAYEGSYQYMDLKPEGYNDRQAVNGSFYKLTFAPTFKVGSIGDFFSRPEIRFYTSWMDWSKKLNNYASDDALGSDGFNSGGEWSFGVQMETWF

Source

organism	Salmonella typhimurium
ncbi_taxonomy_id	602
host_organism	Escherichia coli

Entity 2 branched

description	beta-D-fructofuranose-(2-1)-alpha-D-glucopyranose
formula_weight	342.3 kDa
src_method	man
entity_count	6

Entity 3 non-polymer

description	CALCIUM ION
formula_weight	40.1 kDa
src_method	syn
entity_count	3

Entity 4 water

description	water
formula_weight	18.0 kDa
src_method	nat
entity_count	330

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6. Citations (2)

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length_a	111.800 Å
length_b	111.800 Å
length_c	147.800 Å
angle_alpha	90.00 °
angle_beta	90.00 °
angle_gamma	120.00 °
z_pdb	9

space_group	P 32
int_tables_number	145
crystal_system	—

resolution	2.400 Å
resolution_low	100.000 Å
r_factor	0.2070
r_work	0.2070
r_free	0.2460

fit	/app/data/saxs_computation/a0/1a0t/1a0t.fit
pddf	/app/data/pr_computation/a0/1a0t/1a0t.pr.out
profile	/app/data/saxs_computation/a0/1a0t/1a0t.dat

SUCROSE-SPECIFIC PORIN, WITH BOUND SUCROSE MOLECULES

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