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1e3x

Native structure of chimaeric amylase from B. amyloliquefaciens and B. licheniformis at 1.92A

Method: X-RAY DIFFRACTION D_max: 86.2 Å Quality: GOOD

SAXS Profile

P(r) Distribution

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1. Structure Basics

entry_id	1e3x
deposition_date	2000-06-26
title	Native structure of chimaeric amylase from B. amyloliquefaciens and B. licheniformis at 1.92A
keywords	HYDROLASE, AMYLASE, FAMILY 13; 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	25.59 Å
rg_electron	24.48 Å
i0	51961800.00
molecular_weight	55142.0 kDa
excluded_volume	68324 Å³
envelope_volume	78810 Å³
shell_volume	27524 Å³
envelope_diameter	89.2 Å
shell_rg	31.38 Å
envelope_rg	24.63 Å
shape_rg	24.46 Å
total_rg	25.25 Å
total_atoms	3905
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	86.2 Å
rg_real	25.64 Å
rg_real_error	0.73 Å
i0_real	5.1960e+07
i0_real_error	8.3710e+05
rg_reciprocal	25.63 Å
i0_reciprocal	51960000.0000
total_estimate	0.8667
solution_quality	GOOD a GOOD solution
n_peaks	1
r_peak_primary	84.8 Å
skewness	0.454
kurtosis	-0.137
angular_range	— – 0.3100 Å⁻¹
current_alpha	0.0000
highest_alpha	8483000.0000
n_real_points	63
gnom_version	4.1.3
quality_criteria	AN1: 0.000; Oscil: 0.810; Stabil: 1.000; Sysdev: 1.000; Positv: 1.000; Valcen: 0.985; Smooth: 0.847

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4. Crystallography & Experiment

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5. Entities & Polymer Info (4)

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	4626

VNGTLMQYFEWYTPNDGQHWKRLQNDAEHLSDIGITAVWIPPAYKGLSQSDNGYGPYDLYDLGEFQQKGTVRTKYGTKSELQDAIGSLHSRNVQVYGDVVLNHKAGADATEDVTAVEVNPANRNQETSEEYQIKAWTDFRFPGRGNTYSDFKWHWYHFDGADWDESRKISRIFKFRGEGKAWDWEVSSENGNYDYLMYADVDYDHPDVVAETKKWGIWYANELSLDGFRIDAAKHIKFSFLRDWVQAVRQATGKEMFTVAEYWQNNAGKLENYLNKTSFNQSVFDVPLHFNLQAASSQGGGYDMRKLLNGTVVSKHPLKSVTFVDNHDTQPGQSLESTVQTWFKPLAYAFILTRESGYPQVFYGDMYGTKGDSQREIPALKHKIEPILKARKQYAYGAQHDYFDHHDIVGWTREGDSSVANSGLAALITDGPGGAKRMYVGRQNAGETWHDITGNRSEPVVINSEGWGEFHVNGGSVSIYVQR

Source

organism	BACILLUS AMYLOLIQUEFACIENS
ncbi_taxonomy_id	1390
host_organism	BACILLUS AMYLOLIQUEFACIENS

Entity 2 non-polymer

description	CALCIUM ION
formula_weight	40.1 kDa
src_method	syn
entity_count	4

Entity 3 non-polymer

description	SODIUM ION
formula_weight	23.0 kDa
src_method	syn
entity_count	1

Entity 4 water

description	water
formula_weight	18.0 kDa
src_method	nat
entity_count	682

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6. Citations (1)

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length_a	53.000 Å
length_b	78.200 Å
length_c	240.600 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	1.900 Å
resolution_low	20.000 Å
r_factor	—
r_work	0.1400
r_free	0.2000

fit	/app/data/saxs_computation/e3/1e3x/1e3x.fit
pddf	/app/data/pr_computation/e3/1e3x/1e3x.pr.out
profile	/app/data/saxs_computation/e3/1e3x/1e3x.dat

Native structure of chimaeric amylase from B. amyloliquefaciens and B. licheniformis at 1.92A

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