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1eom

CRYSTAL STRUCTURE OF THE COMPLEX OF ENDO-BETA-N-ACETYLGLUCOSAMINIDASE F3 WITH A BIANTENNARY COMPLEX OCTASACCHARIDE

Method: X-RAY DIFFRACTION D_max: 58.3 Å Quality: EXCELLENT

SAXS Profile

P(r) Distribution

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1. Structure Basics

entry_id	1eom
deposition_date	2000-03-23
title	CRYSTAL STRUCTURE OF THE COMPLEX OF ENDO-BETA-N-ACETYLGLUCOSAMINIDASE F3 WITH A BIANTENNARY COMPLEX OCTASACCHARIDE
keywords	(alpha/beta)-barrel, 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	19.08 Å
rg_electron	17.83 Å
i0	19532300.00
molecular_weight	32990.0 kDa
excluded_volume	40901 Å³
envelope_volume	44059 Å³
shell_volume	20073 Å³
envelope_diameter	59.7 Å
shell_rg	24.68 Å
envelope_rg	18.08 Å
shape_rg	17.79 Å
total_rg	18.82 Å
total_atoms	2309
n_residues	283
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	58.3 Å
rg_real	18.93 Å
rg_real_error	0.26 Å
i0_real	1.9530e+07
i0_real_error	2.1660e+05
rg_reciprocal	18.95 Å
i0_reciprocal	19530000.0000
total_estimate	0.9024
solution_quality	EXCELLENT a EXCELLENT solution
n_peaks	2
r_peak_primary	24.3 Å
skewness	0.081
kurtosis	-0.493
angular_range	— – 0.4150 Å⁻¹
current_alpha	0.0000
highest_alpha	3682000.0000
n_real_points	73
gnom_version	4.1.3
quality_criteria	AN1: 0.000; Oscil: 0.916; Stabil: 1.000; Sysdev: 1.000; Positv: 1.000; Valcen: 0.981; Smooth: 1.000

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4. Crystallography & Experiment

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5. Entities & Polymer Info (4)

Entity 1 polymer

description	ENDO-BETA-N-ACETYLGLUCOSAMINIDASE F3
formula_weight	31562.5 kDa
ec_number	3.2.1.96
src_method	man
entity_count	1

Polymer

type	polypeptide(L)
strand_id	A
atom_count	2617

ATALAGSNGVCIAYYITDGRNPTFKLKDIPDKVDMVILFGLKYWSLQDTTKLPGGTGMMGSFKSYKDLDTQIRSLQSRGIKVLQNIDDDVSWQSSKPGGFASAAAYGDAIKSIVIDKWKLDGISLDIEHSGAKPNPIPTFPGYAATGYNGWYSGSMAATPAFLNVISELTKYFGTTAPNNKQLQIASGIDVYAWNKIMENFRNNFNYIQLQSYGANVSRTQLMMNYATGTNKIPASKMVFGAYAEGGTNQANDVEVAKWTPTQGAKGGMMIYTYNSNVSYANAVRDAVKN

Source

organism	Elizabethkingia meningoseptica
ncbi_taxonomy_id	238
host_organism	Escherichia coli

Entity 2 branched

description	;beta-D-galactopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-2)-alpha-D-mannopyranose-(1-3)-[beta-D-galactopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-2)-alpha-D-mannopyranose-(1-6)]alpha-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose ;
formula_weight	1438.3 kDa
src_method	man
entity_count	1

Entity 3 non-polymer

description	SULFATE ION
formula_weight	96.1 kDa
src_method	syn
entity_count	6

Entity 4 water

description	water
formula_weight	18.0 kDa
src_method	nat
entity_count	304

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6. Citations (1)

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length_a	68.994 Å
length_b	117.456 Å
length_c	40.156 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	2.100 Å
resolution_low	19.960 Å
r_factor	0.1610
r_work	0.1610
r_free	0.2150

fit	/app/data/saxs_computation/eo/1eom/1eom.fit
pddf	/app/data/pr_computation/eo/1eom/1eom.pr.out
profile	/app/data/saxs_computation/eo/1eom/1eom.dat

CRYSTAL STRUCTURE OF THE COMPLEX OF ENDO-BETA-N-ACETYLGLUCOSAMINIDASE F3 WITH A BIANTENNARY COMPLEX OCTASACCHARIDE

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