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1dex

RHAMNOGALACTURONAN ACETYLESTERASE FROM ASPERGILLUS ACULEATUS AT 1.9 A RESOLUTION

Method: X-RAY DIFFRACTION D_max: 57.5 Å Quality: REASONABLE

SAXS Profile

P(r) Distribution

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1. Structure Basics

entry_id	1dex
deposition_date	1999-11-16
title	RHAMNOGALACTURONAN ACETYLESTERASE FROM ASPERGILLUS ACULEATUS AT 1.9 A RESOLUTION
keywords	SGNH HYDROLASE, 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	18.71 Å
rg_electron	17.76 Å
i0	12631500.00
molecular_weight	25857.0 kDa
excluded_volume	31970 Å³
envelope_volume	36619 Å³
shell_volume	17456 Å³
envelope_diameter	63.2 Å
shell_rg	23.85 Å
envelope_rg	18.18 Å
shape_rg	17.68 Å
total_rg	18.86 Å
total_atoms	2276
n_residues	233
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	57.5 Å
rg_real	18.80 Å
rg_real_error	0.10 Å
i0_real	1.2320e+07
i0_real_error	1.0750e+05
rg_reciprocal	18.65 Å
i0_reciprocal	12630000.0000
total_estimate	0.6885
solution_quality	REASONABLE a REASONABLE solution
n_peaks	1
r_peak_primary	22.8 Å
skewness	0.293
kurtosis	-0.273
angular_range	— – 0.4250 Å⁻¹
current_alpha	9.2180
highest_alpha	2742000.0000
n_real_points	74
gnom_version	4.1.3
quality_criteria	AN1: 0.000; Oscil: 0.941; Stabil: 0.927; Sysdev: 0.000; Positv: 1.000; Valcen: 0.997; Smooth: 0.368

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4. Crystallography & Experiment

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5. Entities & Polymer Info (4)

Entity 1 polymer

description	RHAMNOGALACTURONAN ACETYLESTERASE
formula_weight	24622.9 kDa
src_method	man
entity_count	1

Polymer

type	polypeptide(L)
strand_id	A
atom_count	2582

TTVYLAGDSTMAKNGGGSGTNGWGEYLASYLSATVVNDAVAGRSARSYTREGRFENIADVVTAGDYVIVEFGHNDGGSLSTDNGRTDCSGTGAEVCYSVYDGVNETILTFPAYLENAAKLFTAKGAKVILSSQTPNNPWETGTFVNSPTRFVEYAELAAEVAGVEYVDHWSYVDSIYETLGNATVNSYFPIDHTHTSPAGAEVVAEAFLKAVVCTGTSLKSVLTTTSFEGTCL

Source

organism	Aspergillus aculeatus
ncbi_taxonomy_id	5053
host_organism	Aspergillus oryzae

Entity 2 branched

description	;alpha-D-mannopyranose-(1-3)-[alpha-D-mannopyranose-(1-6)]alpha-D-mannopyranose-(1-6)-beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose ;
formula_weight	1073.0 kDa
src_method	man
entity_count	1

Entity 3 non-polymer

description	2-acetamido-2-deoxy-beta-D-glucopyranose
formula_weight	221.2 kDa
src_method	man
entity_count	1

Entity 4 water

description	water
formula_weight	18.0 kDa
src_method	nat
entity_count	102

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6. Citations (3)

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length_a	52.550 Å
length_b	57.080 Å
length_c	71.860 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	1.900 Å
resolution_low	30.000 Å
r_factor	—
r_work	0.1620
r_free	0.2180

fit	/app/data/saxs_computation/de/1dex/1dex.fit
pddf	/app/data/pr_computation/de/1dex/1dex.pr.out
profile	/app/data/saxs_computation/de/1dex/1dex.dat

RHAMNOGALACTURONAN ACETYLESTERASE FROM ASPERGILLUS ACULEATUS AT 1.9 A RESOLUTION

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