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1dim

SIALIDASE FROM SALMONELLA TYPHIMURIUM COMPLEXED WITH EPANA INHIBITOR

Method: X-RAY DIFFRACTION D_max: 61.5 Å Quality: EXCELLENT

SAXS Profile

P(r) Distribution

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1. Structure Basics

entry_id	1dim
deposition_date	1996-04-23
title	SIALIDASE FROM SALMONELLA TYPHIMURIUM COMPLEXED WITH EPANA INHIBITOR
keywords	GLYCOSIDASE, HYDROLASE; GLYCOSIDASE
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	20.34 Å
rg_electron	19.26 Å
i0	31371800.00
molecular_weight	42313.0 kDa
excluded_volume	52531 Å³
envelope_volume	57851 Å³
shell_volume	24012 Å³
envelope_diameter	62.6 Å
shell_rg	26.78 Å
envelope_rg	19.46 Å
shape_rg	19.25 Å
total_rg	20.17 Å
total_atoms	2976
n_residues	381
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	61.5 Å
rg_real	20.18 Å
rg_real_error	0.25 Å
i0_real	3.1370e+07
i0_real_error	3.5620e+05
rg_reciprocal	20.21 Å
i0_reciprocal	31370000.0000
total_estimate	0.9002
solution_quality	EXCELLENT a EXCELLENT solution
n_peaks	2
r_peak_primary	27.2 Å
skewness	0.054
kurtosis	-0.486
angular_range	— – 0.3900 Å⁻¹
current_alpha	0.0000
highest_alpha	7942000.0000
n_real_points	71
gnom_version	4.1.3
quality_criteria	AN1: 0.000; Oscil: 0.912; Stabil: 1.000; Sysdev: 1.000; Positv: 1.000; Valcen: 0.970; Smooth: 0.992

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4. Crystallography & Experiment

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5. Entities & Polymer Info (4)

Entity 1 polymer

description	SIALIDASE
formula_weight	41991.8 kDa
ec_number	3.2.1.18
src_method	man
entity_count	1

Polymer

type	polypeptide(L)
strand_id	A
atom_count	3195

TVEKSVVFKAEGEHFTDQKGNTIVGSGSGGTTKYFRIPAMCTTSKGTIVVFADARHNTASDQSFIDTAAARSTDGGKTWNKKIAIYNDRVNSKLSRVMDPTCIVANIQGRETILVMVGKWNNNDKTWGAYRDKAPDTDWDLVLYKSTDDGVTFSKVETNIHDIVTKNGTISAMLGGVGSGLQLNDGKLVFPVQMVRTKNITTVLNTSFIYSTDGITWSLPSGYCEGFGSENNIIEFNASLVNNIRNSGLRRSFETKDFGKTWTEFPPMDKKVDNRNHGVQGSTITIPSGNKLVAAHSSAQNKNNDYTRSDISLYAHNLYSGEVKLIDDFYPKVGNASGAGYSCLSYRKNVDKETLYVVYEANGSIEFQDLSRHLPVIKSYN

Source

organism	Salmonella typhimurium
ncbi_taxonomy_id	99287
host_organism	Escherichia coli

Entity 2 non-polymer

description	POTASSIUM ION
formula_weight	39.1 kDa
src_method	syn
entity_count	1

Entity 3 non-polymer

description	(1R)-4-acetamido-1,5-anhydro-2,4-dideoxy-1-phosphono-D-glycero-D-galacto-octitol
formula_weight	329.2 kDa
src_method	syn
entity_count	1

Entity 4 water

description	water
formula_weight	18.0 kDa
src_method	nat
entity_count	219

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6. Citations (4)

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length_a	47.400 Å
length_b	82.300 Å
length_c	91.700 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	1.600 Å
resolution_low	6.000 Å
r_factor	0.1800
r_work	0.1800
r_free	—

fit	/app/data/saxs_computation/di/1dim/1dim.fit
pddf	/app/data/pr_computation/di/1dim/1dim.pr.out
profile	/app/data/saxs_computation/di/1dim/1dim.dat

SIALIDASE FROM SALMONELLA TYPHIMURIUM COMPLEXED WITH EPANA INHIBITOR

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