SIALIDASE COMPLEXED WITH 2-DEOXY-2,3-DEHYDRO-N-ACETYLNEURAMINIC ACID

Method: X-RAY DIFFRACTION D_max: 61.3 Å Quality: GOOD

SAXS Profile

P(r) Distribution

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1. Structure Basics

entry_id	1eus
deposition_date	1996-06-21
title	SIALIDASE COMPLEXED WITH 2-DEOXY-2,3-DEHYDRO-N-ACETYLNEURAMINIC ACID
keywords	NEURAMINIDASE, SIALIDASE, 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	19.77 Å
rg_electron	18.67 Å
i0	27482600.00
molecular_weight	38503.0 kDa
excluded_volume	47350 Å³
envelope_volume	52955 Å³
shell_volume	22740 Å³
envelope_diameter	62.2 Å
shell_rg	26.06 Å
envelope_rg	18.93 Å
shape_rg	18.65 Å
total_rg	19.61 Å
total_atoms	2720
n_residues	358
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	61.3 Å
rg_real	19.58 Å
rg_real_error	0.26 Å
i0_real	2.7480e+07
i0_real_error	3.2230e+05
rg_reciprocal	19.61 Å
i0_reciprocal	27480000.0000
total_estimate	0.8912
solution_quality	GOOD a GOOD solution
n_peaks	2
r_peak_primary	25.9 Å
skewness	0.071
kurtosis	-0.436
angular_range	— – 0.4000 Å⁻¹
current_alpha	0.0000
highest_alpha	8753000.0000
n_real_points	72
gnom_version	4.1.3
quality_criteria	AN1: 0.000; Oscil: 0.868; Stabil: 1.000; Sysdev: 1.000; Positv: 1.000; Valcen: 0.984; Smooth: 0.992

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4. Crystallography & Experiment

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5. Entities & Polymer Info (3)

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6. Citations (2)

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length_a	48.000 Å
length_b	82.860 Å
length_c	84.940 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	2.000 Å
resolution_low	6.000 Å
r_factor	0.1590
r_work	0.1590
r_free	—

description	SIALIDASE
formula_weight	38892.7 kDa
ec_number	3.2.1.18
src_method	nat
entity_count	1

type	polypeptide(L)
strand_id	A
atom_count	2990

SIALIDASE COMPLEXED WITH 2-DEOXY-2,3-DEHYDRO-N-ACETYLNEURAMINIC ACID

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

5. Entities & Polymer Info (3)

Entity 1 polymer

Polymer

Entity 2 non-polymer

Entity 3 water

6. Citations (2)

7. Files & Curves (10)

Files (7)

Curves (3)

description	2-DEOXY-2,3-DEHYDRO-N-ACETYL-NEURAMINIC ACID
formula_weight	291.3 kDa
src_method	syn
entity_count	1

description	water
formula_weight	18.0 kDa
src_method	nat
entity_count	270

fit	/app/data/saxs_computation/eu/1eus/1eus.fit
pddf	/app/data/pr_computation/eu/1eus/1eus.pr.out
profile	/app/data/saxs_computation/eu/1eus/1eus.dat