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1e3z

Acarbose complex of chimaeric amylase from B. amyloliquefaciens and B. licheniformis at 1.93A

Method: X-RAY DIFFRACTION D_max: 86.3 Å Quality: GOOD

SAXS Profile

P(r) Distribution

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1. Structure Basics

entry_id	1e3z
deposition_date	2000-06-27
title	Acarbose complex of chimaeric amylase from B. amyloliquefaciens and B. licheniformis at 1.93A
keywords	HYDROLASE, AMYLASE, FAMILY 13, ACARBOSE, COMPLEX; 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	25.39 Å
rg_electron	24.26 Å
i0	54569300.00
molecular_weight	56731.0 kDa
excluded_volume	70352 Å³
envelope_volume	79591 Å³
shell_volume	27862 Å³
envelope_diameter	88.8 Å
shell_rg	31.37 Å
envelope_rg	24.52 Å
shape_rg	24.25 Å
total_rg	25.03 Å
total_atoms	4013
n_residues	483
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	86.3 Å
rg_real	25.43 Å
rg_real_error	0.79 Å
i0_real	5.4570e+07
i0_real_error	8.4150e+05
rg_reciprocal	25.42 Å
i0_reciprocal	54570000.0000
total_estimate	0.8685
solution_quality	GOOD a GOOD solution
n_peaks	2
r_peak_primary	28.8 Å
skewness	0.463
kurtosis	-0.125
angular_range	— – 0.3150 Å⁻¹
current_alpha	0.0000
highest_alpha	10160000.0000
n_real_points	64
gnom_version	4.1.3
quality_criteria	AN1: 0.000; Oscil: 0.785; Stabil: 1.000; Sysdev: 1.000; Positv: 1.000; Valcen: 0.945; Smooth: 0.987

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4. Crystallography & Experiment

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5. Entities & Polymer Info (7)

Entity 1 polymer

description	ALPHA-AMYLASE
formula_weight	55038.4 kDa
ec_number	3.2.1.1
src_method	man
entity_count	1

Polymer

type	polypeptide(L)
strand_id	A
atom_count	4741

VNGTLMQYFEWYTPNDGQHWKRLQNDAEHLSDIGITAVWIPPAYKGLSQSDNGYGPYDLYDLGEFQQKGTVRTKYGTKSELQDAIGSLHSRNVQVYGDVVLNHKAGADATEDVTAVEVNPANRNQETSEEYQIKAWTDFRFPGRGNTYSDFKWHWYHFDGADWDESRKISRIFKFRGEGKAWDWEVSSENGNYDYLMYADVDYDHPDVVAETKKWGIWYANELSLDGFRIDAAKHIKFSFLRDWVQAVRQATGKEMFTVAEYWQNNAGKLENYLNKTSFNQSVFDVPLHFNLQAASSQGGGYDMRKLLNGTVVSKHPLKSVTFVDNHDTQPGQSLESTVQTWFKPLAYAFILTRESGYPQVFYGDMYGTKGDSQREIPALKHKIEPILKARKQYAYGAQHDYFDHHDIVGWTREGDSSVANSGLAALITDGPGGAKRMYVGRQNAGETWHDITGNRSEPVVINSEGWGEFHVNGGSVSIYVQR

Source

organism	BACILLUS AMYLOLIQUEFACIENS
ncbi_taxonomy_id	1390
host_organism	BACILLUS AMYLOLIQUEFACIENS

Entity 2 branched

description	4,6-dideoxy-alpha-D-xylo-hexopyranose-(1-4)-alpha-D-glucopyranose
formula_weight	310.3 kDa
src_method	man
entity_count	2

Entity 3 branched

description	4,6-dideoxy-alpha-D-xylo-hexopyranose-(1-4)-alpha-D-glucopyranose-(1-4)-alpha-D-glucopyranose
formula_weight	472.4 kDa
src_method	man
entity_count	1

Entity 4 non-polymer

description	CALCIUM ION
formula_weight	40.1 kDa
src_method	syn
entity_count	4

Entity 5 non-polymer

description	SODIUM ION
formula_weight	23.0 kDa
src_method	syn
entity_count	1

Entity 6 non-polymer

description	6-AMINO-4-HYDROXYMETHYL-CYCLOHEX-4-ENE-1,2,3-TRIOL
formula_weight	175.2 kDa
src_method	syn
entity_count	3

Entity 7 water

description	water
formula_weight	18.0 kDa
src_method	nat
entity_count	680

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6. Citations (1)

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length_a	52.720 Å
length_b	78.270 Å
length_c	238.860 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	1.930 Å
resolution_low	20.000 Å
r_factor	—
r_work	0.1300
r_free	0.2000

fit	/app/data/saxs_computation/e3/1e3z/1e3z.fit
pddf	/app/data/pr_computation/e3/1e3z/1e3z.pr.out
profile	/app/data/saxs_computation/e3/1e3z/1e3z.dat