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1aqh

ALPHA-AMYLASE FROM ALTEROMONAS HALOPLANCTIS

Method: X-RAY DIFFRACTION D_max: 77.2 Å Quality: GOOD

SAXS Profile

P(r) Distribution

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1. Structure Basics

entry_id	1aqh
deposition_date	1997-07-30
title	ALPHA-AMYLASE FROM ALTEROMONAS HALOPLANCTIS
keywords	ALPHA-AMYLASE, ALPHA-1, 4-GLUCAN-4-GLUCANOHYDROLASE, BETA-ALPHA-EIGHT BARREL, PSYCHROPHILIC ENZYME, HYDROLASE; 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	23.66 Å
rg_electron	22.50 Å
i0	43921100.00
molecular_weight	48889.0 kDa
excluded_volume	59898 Å³
envelope_volume	68912 Å³
shell_volume	25696 Å³
envelope_diameter	81.3 Å
shell_rg	29.49 Å
envelope_rg	22.66 Å
shape_rg	22.47 Å
total_rg	23.35 Å
total_atoms	4224
n_residues	448
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	77.2 Å
rg_real	23.64 Å
rg_real_error	0.54 Å
i0_real	4.3920e+07
i0_real_error	5.8260e+05
rg_reciprocal	23.64 Å
i0_reciprocal	43920000.0000
total_estimate	0.8091
solution_quality	GOOD a GOOD solution
n_peaks	2
r_peak_primary	27.7 Å
skewness	0.362
kurtosis	-0.240
angular_range	— – 0.3350 Å⁻¹
current_alpha	0.0000
highest_alpha	7190000.0000
n_real_points	65
gnom_version	4.1.3
quality_criteria	AN1: 0.000; Oscil: 0.842; Stabil: 0.997; Sysdev: 1.000; Positv: 1.000; Valcen: 0.996; Smooth: 0.000

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4. Crystallography & Experiment

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5. Entities & Polymer Info (4)

Entity 1 polymer

description	ALPHA-AMYLASE
formula_weight	49380.8 kDa
ec_number	3.2.1.1
src_method	man
entity_count	1

Polymer

type	polypeptide(L)
strand_id	A
atom_count	4896

TPTTFVHLFEWNWQDVAQECEQYLGPKGYAAVQVSPPNEHITGSQWWTRYQPVSYELQSRGGNRAQFIDMVNRCSAAGVDIYVDTLINHMAAGSGTGTAGNSFGNKSFPIYSPQDFHESCTINNSDYGNDRYRVQNCELVGLADLDTASNYVQNTIAAYINDLQAIGVKGFRFDASKHVAASDIQSLMAKVNGSPVVFQEVIDQGGEAVGASEYLSTGLVTEFKYSTELGNTFRNGSLAWLSNFGEGWGFMPSSSAVVFVDNHDNQRGHGGAGNVITFEDGRLYDLANVFMLAYPYGYPKVMSSYDFHGDTDAGGPNVPVHNNGNLECFASNWKCEHRWSYIAGGVDFRNNTADNWAVTNWWDNTNNQISFGRGSSGHMAINKEDSTLTATVQTDMASGQYCNVLKGELSADAKSCSGEVITVNSDGTINLNIGAWDAMAIHKNAKLNTSSAS

Source

organism	Pseudoalteromonas haloplanktis
ncbi_taxonomy_id	228
host_organism	Escherichia coli

Entity 2 non-polymer

description	CALCIUM ION
formula_weight	40.1 kDa
src_method	syn
entity_count	1

Entity 3 non-polymer

description	CHLORIDE ION
formula_weight	35.5 kDa
src_method	syn
entity_count	1

Entity 4 water

description	water
formula_weight	18.0 kDa
src_method	nat
entity_count	224

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6. Citations (3)

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length_a	71.400 Å
length_b	138.700 Å
length_c	115.700 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	2.000 Å
resolution_low	43.000 Å
r_factor	0.1570
r_work	0.1570
r_free	0.2040

fit	/app/data/saxs_computation/aq/1aqh/1aqh.fit
pddf	/app/data/pr_computation/aq/1aqh/1aqh.pr.out
profile	/app/data/saxs_computation/aq/1aqh/1aqh.dat

ALPHA-AMYLASE FROM ALTEROMONAS HALOPLANCTIS

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