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1ayx

CRYSTAL STRUCTURE OF GLUCOAMYLASE FROM SACCHAROMYCOPSIS FIBULIGERA AT 1.7 ANGSTROMS

Method: X-RAY DIFFRACTION D_max: 73.0 Å Quality: REASONABLE

SAXS Profile

P(r) Distribution

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1. Structure Basics

entry_id	1ayx
deposition_date	1997-11-12
title	CRYSTAL STRUCTURE OF GLUCOAMYLASE FROM SACCHAROMYCOPSIS FIBULIGERA AT 1.7 ANGSTROMS
keywords	GLUCOAMYLASE, HYDROLASE, GLYCOSIDASE, POLYSACCHARIDE DEGRADATION; 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	23.17 Å
rg_electron	21.75 Å
i0	51095400.00
molecular_weight	54710.0 kDa
excluded_volume	67827 Å³
envelope_volume	76969 Å³
shell_volume	28438 Å³
envelope_diameter	73.7 Å
shell_rg	29.63 Å
envelope_rg	21.98 Å
shape_rg	21.73 Å
total_rg	22.66 Å
total_atoms	3878
n_residues	492
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	73.0 Å
rg_real	23.01 Å
rg_real_error	0.48 Å
i0_real	5.1100e+07
i0_real_error	7.5430e+05
rg_reciprocal	23.05 Å
i0_reciprocal	51100000.0000
total_estimate	0.6239
solution_quality	REASONABLE a REASONABLE solution
n_peaks	2
r_peak_primary	30.3 Å
skewness	0.126
kurtosis	-0.432
angular_range	— – 0.3450 Å⁻¹
current_alpha	0.0000
highest_alpha	15800000.0000
n_real_points	66
gnom_version	4.1.3
quality_criteria	AN1: 0.000; Oscil: 0.871; Stabil: 0.999; Sysdev: 0.171; Positv: 1.000; Valcen: 0.985; Smooth: 0.000

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4. Crystallography & Experiment

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5. Entities & Polymer Info (3)

Entity 1 polymer

description	GLUCOAMYLASE
formula_weight	54660.0 kDa
ec_number	3.2.1.3
src_method	man
entity_count	1

Polymer

type	polypeptide(L)
strand_id	A
atom_count	4279

AYPSFEAYSNYKVDRTDLETFLDKQKEVSLYYLLQNIAYPEGQFNNGVPGTVIASPSTSNPDYYYQWTRDSAITFLTVLSELEDNNFNTTLAKAVEYYINTSYNLQRTSNPSGSFDDENHKGLGEPKFNTDGSAYTGAWGRPQNDGPALRAYAISRYLNDVNSLNEGKLVLTDSGDINFSSTEDIYKNIIKPDLEYVIGYWDSTGFDLWEENQGRHFFTSLVQQKALAYAVDIAKSFDDGDFANTLSSTASTLESYLSGSDGGFVNTDVNHIVENPDLLQQNSRQGLDSATYIGPLLTHDIGESSSTPFDVDNEYVLQSYYLLLEDNKDRYSVNSAYSAGAAIGRYPEDVYNGDGSSEGNPWFLATAYAAQVPYKLAYDAKSASNDITINKINYDFFNKYIVDLSTINSAYQSSDSVTIKSGSDEFNTVADNLVTFGDSFLQVILDHINDDGSLNEQLNRYTGYSTGAYSLTWSSGALLEAIRLRNKVKALA

Source

organism	Saccharomycopsis fibuligera
ncbi_taxonomy_id	4944
host_organism	Escherichia coli

Entity 2 non-polymer

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

Entity 3 water

description	water
formula_weight	18.0 kDa
src_method	nat
entity_count	401

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6. Citations (1)

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length_a	58.140 Å
length_b	87.790 Å
length_c	99.950 Å
angle_alpha	90.00 °
angle_beta	90.00 °
angle_gamma	90.00 °
z_pdb	4

space_group	P 21 21 21
int_tables_number	19
crystal_system	—

resolution	1.700 Å
resolution_low	30.000 Å
r_factor	0.1490
r_work	0.1440
r_free	0.1810

fit	/app/data/saxs_computation/ay/1ayx/1ayx.fit
pddf	/app/data/pr_computation/ay/1ayx/1ayx.pr.out
profile	/app/data/saxs_computation/ay/1ayx/1ayx.dat