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1e8v

Structure of the multifunctional paramyxovirus hemagglutinin-neuraminidase

Method: X-RAY DIFFRACTION D_max: 100.9 Å Quality: GOOD

SAXS Profile

P(r) Distribution

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1. Structure Basics

entry_id	1e8v
deposition_date	2000-10-01
title	Structure of the multifunctional paramyxovirus hemagglutinin-neuraminidase
keywords	SIALIDASE, NEURAMINIDASE, HEMAGGLUTININ, 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	30.81 Å
rg_electron	30.12 Å
i0	160037000.00
molecular_weight	99687.0 kDa
excluded_volume	124040 Å³
envelope_volume	144080 Å³
shell_volume	39886 Å³
envelope_diameter	110.0 Å
shell_rg	37.47 Å
envelope_rg	30.49 Å
shape_rg	30.09 Å
total_rg	30.77 Å
total_atoms	7006
n_residues	893
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	100.9 Å
rg_real	30.90 Å
rg_real_error	0.79 Å
i0_real	1.6000e+08
i0_real_error	2.4700e+06
rg_reciprocal	30.86 Å
i0_reciprocal	160000000.0000
total_estimate	0.8736
solution_quality	GOOD a GOOD solution
n_peaks	2
r_peak_primary	31.6 Å
skewness	0.451
kurtosis	-0.330
angular_range	— – 0.2550 Å⁻¹
current_alpha	0.0000
highest_alpha	48070000.0000
n_real_points	52
gnom_version	4.1.3
quality_criteria	AN1: 0.000; Oscil: 0.835; Stabil: 1.000; Sysdev: 1.000; Positv: 1.000; Valcen: 0.963; Smooth: 0.886

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4. Crystallography & Experiment

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5. Entities & Polymer Info (6)

Entity 1 polymer

description	HEMAGGLUTININ-NEURAMINIDASE
formula_weight	49856.9 kDa
ec_number	3.2.1.18
src_method	nat
entity_count	2

Polymer

type	polypeptide(L)
strand_id	A,B
atom_count	7245

GAPIHDPDFIGGIGKELIVDNASDVTSFYPSAFQEHLNFIPAPTTGSGCTRIPSFDMSATHYCYTHNVILSGCRDHSHSHQYLALGVLRTTATGRIFFSTLRSISLDDTQNRKSCSVSATPLGCDMLCSKVTETEEEDYNSAVPTLMAHGRLGFDGQYHEKDLDVTTLFEDWVANYPGVGGGSFIDGRVWFSVYGGLKPNSPSDTVQEGKYVIYKRYNDTCPDEQDYQIRMAKSSYKPGRFGGKRIQQAILSIKVSTSLGEDPVLTVPPNTVTLMGAEGRILTVGTSHFLYQRGSSYFSPALLYPMTVSNKTATLHSPYTFNAFTRPGSIPCQASARCPNSCVTGVYTDPYPLIFYRNHTLRGVFGTMLDSEQARLNPASAVFDSTSRSRITRVSSSSTKAAYTTSTCFKVVKTNKTYCLSIAEISNTLFGEFRIVPLLVEILKNDGVREARSG

Entity 2 branched

description	2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose
formula_weight	424.4 kDa
src_method	man
entity_count	1

Entity 3 non-polymer

description	CALCIUM ION
formula_weight	40.1 kDa
src_method	syn
entity_count	2

Entity 4 non-polymer

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

Entity 5 non-polymer

description	2-acetamido-2-deoxy-beta-D-glucopyranose
formula_weight	221.2 kDa
src_method	man
entity_count	3

Entity 6 water

description	water
formula_weight	18.0 kDa
src_method	nat
entity_count	239

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6. Citations (2)

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length_a	137.460 Å
length_b	137.460 Å
length_c	116.600 Å
angle_alpha	90.00 °
angle_beta	90.00 °
angle_gamma	120.00 °
z_pdb	12

space_group	P 61
int_tables_number	169
crystal_system	—

resolution	2.000 Å
resolution_low	6.000 Å
r_factor	0.2320
r_work	0.2320
r_free	0.2670

fit	/app/data/saxs_computation/e8/1e8v/1e8v.fit
pddf	/app/data/pr_computation/e8/1e8v/1e8v.pr.out
profile	/app/data/saxs_computation/e8/1e8v/1e8v.dat