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1e40

Tris/maltotriose complex of chimaeric amylase from B. amyloliquefaciens and B. licheniformis at 2.2A

Method: X-RAY DIFFRACTION D_max: 86.4 Å Quality: GOOD

SAXS Profile

P(r) Distribution

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1. Structure Basics

entry_id	1e40
deposition_date	2000-06-27
title	Tris/maltotriose complex of chimaeric amylase from B. amyloliquefaciens and B. licheniformis at 2.2A
keywords	HYDROLASE, AMYLASE, FAMILY 13, MALTOTRIOSE, TRIS, 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	25.43 Å
rg_electron	24.31 Å
i0	53089100.00
molecular_weight	55771.0 kDa
excluded_volume	69097 Å³
envelope_volume	78965 Å³
shell_volume	27661 Å³
envelope_diameter	89.4 Å
shell_rg	31.39 Å
envelope_rg	24.54 Å
shape_rg	24.30 Å
total_rg	25.08 Å
total_atoms	3947
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	86.4 Å
rg_real	25.47 Å
rg_real_error	0.79 Å
i0_real	5.3090e+07
i0_real_error	8.2330e+05
rg_reciprocal	25.46 Å
i0_reciprocal	53090000.0000
total_estimate	0.8705
solution_quality	GOOD a GOOD solution
n_peaks	2
r_peak_primary	30.7 Å
skewness	0.460
kurtosis	-0.117
angular_range	— – 0.3100 Å⁻¹
current_alpha	0.0000
highest_alpha	8716000.0000
n_real_points	63
gnom_version	4.1.3
quality_criteria	AN1: 0.000; Oscil: 0.781; Stabil: 0.999; Sysdev: 1.000; Positv: 1.000; Valcen: 0.982; Smooth: 0.991

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4. Crystallography & Experiment

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5. Entities & Polymer Info (6)

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	4519

VNGTLMQYFEWYTPNDGQHWKRLQNDAEHLSDIGITAVWIPPAYKGLSQSDNGYGPYDLYDLGEFQQKGTVRTKYGTKSELQDAIGSLHSRNVQVYGDVVLNHKAGADATEDVTAVEVNPANRNQETSEEYQIKAWTDFRFPGRGNTYSDFKWHWYHFDGADWDESRKISRIFKFRGEGKAWDWEVSSENGNYDYLMYADVDYDHPDVVAETKKWGIWYANELSLDGFRIDAAKHIKFSFLRDWVQAVRQATGKEMFTVAEYWQNNAGKLENYLNKTSFNQSVFDVPLHFNLQAASSQGGGYDMRKLLNGTVVSKHPLKSVTFVDNHDTQPGQSLESTVQTWFKPLAYAFILTRESGYPQVFYGDMYGTKGDSQREIPALKHKIEPILKARKQYAYGAQHDYFDHHDIVGWTREGDSSVANSGLAALITDGPGGAKRMYVGRQNAGETWHDITGNRSEPVVINSEGWGEFHVNGGSVSIYVQR

Source

organism	BACILLUS AMYLOLIQUEFACIENS
ncbi_taxonomy_id	1390
host_organism	BACILLUS AMYLOLIQUEFACIENS

Entity 2 branched

description	alpha-D-glucopyranose-(1-4)-alpha-D-glucopyranose-(1-4)-alpha-D-glucopyranose
formula_weight	504.4 kDa
src_method	man
entity_count	1

Entity 3 non-polymer

description	CALCIUM ION
formula_weight	40.1 kDa
src_method	syn
entity_count	4

Entity 4 non-polymer

description	SODIUM ION
formula_weight	23.0 kDa
src_method	syn
entity_count	1

Entity 5 non-polymer

description	2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL
formula_weight	122.1 kDa
src_method	syn
entity_count	1

Entity 6 water

description	water
formula_weight	18.0 kDa
src_method	nat
entity_count	539

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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	2.200 Å
resolution_low	20.000 Å
r_factor	—
r_work	0.1300
r_free	0.2100

fit	/app/data/saxs_computation/e4/1e40/1e40.fit
pddf	/app/data/pr_computation/e4/1e40/1e40.pr.out
profile	/app/data/saxs_computation/e4/1e40/1e40.dat