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1bfn

BETA-AMYLASE/BETA-CYCLODEXTRIN COMPLEX

Method: X-RAY DIFFRACTION D_max: 70.8 Å Quality: EXCELLENT

SAXS Profile

P(r) Distribution

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1. Structure Basics

entry_id	1bfn
deposition_date	1998-05-22
title	BETA-AMYLASE/BETA-CYCLODEXTRIN COMPLEX
keywords	HYDROLASE, BETA-AMYLASE, BETA-CYCLODEXTRIN, RECOMBINANT; 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	23.19 Å
rg_electron	21.94 Å
i0	51909900.00
molecular_weight	56670.0 kDa
excluded_volume	71064 Å³
envelope_volume	80583 Å³
shell_volume	29422 Å³
envelope_diameter	73.6 Å
shell_rg	29.91 Å
envelope_rg	22.06 Å
shape_rg	21.93 Å
total_rg	22.87 Å
total_atoms	3997
n_residues	490
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	70.8 Å
rg_real	23.02 Å
rg_real_error	0.25 Å
i0_real	5.1910e+07
i0_real_error	6.2490e+05
rg_reciprocal	23.06 Å
i0_reciprocal	51910000.0000
total_estimate	0.9014
solution_quality	EXCELLENT a EXCELLENT solution
n_peaks	1
r_peak_primary	69.7 Å
skewness	0.130
kurtosis	-0.438
angular_range	— – 0.3400 Å⁻¹
current_alpha	0.0000
highest_alpha	16070000.0000
n_real_points	66
gnom_version	4.1.3
quality_criteria	AN1: 0.000; Oscil: 0.913; Stabil: 1.000; Sysdev: 1.000; Positv: 1.000; Valcen: 0.978; Smooth: 0.997

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4. Crystallography & Experiment

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5. Entities & Polymer Info (4)

Entity 1 polymer

description	BETA-AMYLASE
formula_weight	55965.2 kDa
ec_number	3.2.1.2
src_method	man
entity_count	1

Polymer

type	polypeptide(L)
strand_id	A
atom_count	4315

ATSDSNMLLNYVPVYVMLPLGVVNVDNVFEDPDGLKEQLLQLRAAGVDGVMVDVWWGIIELKGPKQYDWRAYRSLLQLVQECGLTLQAIMSFHQCGGNVGDIVNIPIPQWVLDIGESNHDIFYTNRSGTRNKEYLTVGVDNEPIFHGRTAIEIYSDYMKSFRENMSDFLESGLIIDIEVGLGPAGELRYPSYPQSQGWEFPGIGEFQCYDKYLKADFKAAVARAGHPEWELPDDAGKYNDVPESTGFFKSNGTYVTEKGKFFLTWYSNKLLNHGDQILDEANKAFLGCKVKLAIKVSGIHWWYKVENHAAELTAGYYNLNDRDGYRPIARMLSRHHAILNFTCLEMRDSEQPSDAKSGPQELVQQVLSGGWREDIRVAGENALPRYDATAYNQIILNARPQGVNNNGPPKLSMFGVTYLRLSDDLLQKSNFNIFKKFVLKMHADQDYCANPQKYNHAITPLKPSAPKIPIEVLLEATKPTLPFPWLPETDMKVDG

Source

organism	Glycine max
common_name	soybean
ncbi_taxonomy_id	3847
host_organism	Escherichia coli

Entity 2 branched

description	Cycloheptakis-(1-4)-(alpha-D-glucopyranose)
formula_weight	1153.0 kDa
src_method	man
entity_count	1

Entity 3 non-polymer

description	SULFATE ION
formula_weight	96.1 kDa
src_method	syn
entity_count	1

Entity 4 water

description	water
formula_weight	18.0 kDa
src_method	nat
entity_count	318

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6. Citations (3)

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length_a	86.030 Å
length_b	86.030 Å
length_c	144.800 Å
angle_alpha	90.00 °
angle_beta	90.00 °
angle_gamma	120.00 °
z_pdb	6

space_group	P 31 2 1
int_tables_number	152
crystal_system	—

resolution	2.070 Å
resolution_low	10.000 Å
r_factor	0.1580
r_work	0.1580
r_free	0.2110

fit	/app/data/saxs_computation/bf/1bfn/1bfn.fit
pddf	/app/data/pr_computation/bf/1bfn/1bfn.pr.out
profile	/app/data/saxs_computation/bf/1bfn/1bfn.dat

BETA-AMYLASE/BETA-CYCLODEXTRIN 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