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1af6

MALTOPORIN SUCROSE COMPLEX

Method: X-RAY DIFFRACTION D_max: 98.1 Å Quality: EXCELLENT

SAXS Profile

P(r) Distribution

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1. Structure Basics

entry_id	1af6
deposition_date	1997-03-21
title	MALTOPORIN SUCROSE COMPLEX
keywords	MEMBRANE PROTEIN, SPECIFIC PORIN, BETA BARREL, SUGAR TRANSPORT, SUCROSE; 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	33.50 Å
rg_electron	32.75 Å
i0	344772000.00
molecular_weight	143230.0 kDa
excluded_volume	176070 Å³
envelope_volume	228430 Å³
shell_volume	55336 Å³
envelope_diameter	97.0 Å
shell_rg	42.09 Å
envelope_rg	32.05 Å
shape_rg	32.74 Å
total_rg	33.46 Å
total_atoms	10123
n_residues	1263
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	98.1 Å
rg_real	33.26 Å
rg_real_error	0.69 Å
i0_real	3.4480e+08
i0_real_error	5.6130e+06
rg_reciprocal	33.41 Å
i0_reciprocal	344800000.0000
total_estimate	0.9070
solution_quality	EXCELLENT a EXCELLENT solution
n_peaks	1
r_peak_primary	43.8 Å
skewness	-0.035
kurtosis	-0.669
angular_range	— – 0.2350 Å⁻¹
current_alpha	0.0000
highest_alpha	26160000.0000
n_real_points	48
gnom_version	4.1.3
quality_criteria	AN1: 0.000; Oscil: 0.955; Stabil: 0.999; Sysdev: 1.000; Positv: 1.000; Valcen: 0.966; Smooth: 0.961

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4. Crystallography & Experiment

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5. Entities & Polymer Info (4)

Entity 1 polymer

description	MALTOPORIN
formula_weight	47425.8 kDa
src_method	man
entity_count	3

Polymer

type	polypeptide(L)
strand_id	A,B,C
atom_count	10517

VDFHGYARSGIGWTGSGGEQQCFQTTGAQSKYRLGNECETYAELKLGQEVWKEGDKSFYFDTNVAYSVAQQNDWEATDPAFREANVQGKNLIEWLPGSTIWAGKRFYQRHDVHMIDFYYWDISGPGAGLENIDVGFGKLSLAATRSSEAGGSSSFASNNIYDYTNETANDVFDVRLAQMEINPGGTLELGVDYGRANLRDNYRLVDGASKDGWLFTAEHTQSVLKGFNKFVVQYATDSMTSQGKGLSQGSGVAFDNEKFAYNINNNGHMLRILDHGAISMGDNWDMMYVGMYQDINWDNDNGTKWWTVGIRPMYKWTPIMSTVMEIGYDNVESQRTGDKNNQYKITLAQQWQAGDSIWSRPAIRVFATYAKWDEKWGYDYTGNADNNANFGKAVPADFNGGSFGRGDSDEWTFGAQMEIWW

Source

organism	Escherichia coli
ncbi_taxonomy_id	562
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	3

Entity 3 non-polymer

description	MAGNESIUM ION
formula_weight	24.3 kDa
src_method	syn
entity_count	4

Entity 4 water

description	water
formula_weight	18.0 kDa
src_method	nat
entity_count	394

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6. Citations (3)

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length_a	129.660 Å
length_b	211.510 Å
length_c	217.910 Å
angle_alpha	90.00 °
angle_beta	90.00 °
angle_gamma	90.00 °
z_pdb	24

space_group	C 2 2 21
int_tables_number	20
crystal_system	—

resolution	2.400 Å
resolution_low	8.000 Å
r_factor	—
r_work	0.1950
r_free	0.2140

fit	/app/data/saxs_computation/af/1af6/1af6.fit
pddf	/app/data/pr_computation/af/1af6/1af6.pr.out
profile	/app/data/saxs_computation/af/1af6/1af6.dat

MALTOPORIN SUCROSE COMPLEX

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