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1a1v

HEPATITIS C VIRUS NS3 HELICASE DOMAIN COMPLEXED WITH SINGLE STRANDED SDNA

Method: X-RAY DIFFRACTION D_max: 71.4 Å Quality: EXCELLENT

SAXS Profile

P(r) Distribution

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1. Structure Basics

entry_id	1a1v
deposition_date	1997-12-17
title	HEPATITIS C VIRUS NS3 HELICASE DOMAIN COMPLEXED WITH SINGLE STRANDED SDNA
keywords	HEPATITIS C VIRUS, RNA HELICASE, NONSTRUCTURAL PROTEINS, SINGLE-STRANDED DNA, HYDROLASE-DNA COMPLEX; HYDROLASE/DNA
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	23.60 Å
rg_electron	23.04 Å
i0	39426300.00
molecular_weight	47607.0 kDa
excluded_volume	59148 Å³
envelope_volume	69362 Å³
shell_volume	25365 Å³
envelope_diameter	73.6 Å
shell_rg	29.93 Å
envelope_rg	23.00 Å
shape_rg	23.06 Å
total_rg	23.75 Å
total_atoms	4009
n_residues	436
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	71.4 Å
rg_real	23.51 Å
rg_real_error	0.41 Å
i0_real	3.9430e+07
i0_real_error	5.1170e+05
rg_reciprocal	23.53 Å
i0_reciprocal	39430000.0000
total_estimate	0.9134
solution_quality	EXCELLENT a EXCELLENT solution
n_peaks	2
r_peak_primary	25.6 Å
skewness	0.211
kurtosis	-0.563
angular_range	— – 0.3350 Å⁻¹
current_alpha	0.0000
highest_alpha	8763000.0000
n_real_points	65
gnom_version	4.1.3
quality_criteria	AN1: 0.000; Oscil: 0.966; Stabil: 1.000; Sysdev: 1.000; Positv: 1.000; Valcen: 1.000; Smooth: 0.971

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4. Crystallography & Experiment

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5. Entities & Polymer Info (4)

Entity 1 polymer

description	;DNA (5'-D(UPUPUPUPUPUPUPU)-3') ;
formula_weight	2276.4 kDa
src_method	syn
entity_count	1

Polymer

type	polydeoxyribonucleotide
strand_id	B
atom_count	4486

UUUUUUUU

Entity 2 polymer

description	PROTEIN (NS3 PROTEIN)
formula_weight	51362.3 kDa
mutation	;N-TERMINAL MET, K221Q, A277G, S301L, S332P, S410A, G530E, R582W, AND A 10 RESIDUE (GSGSHHHHHH) HISTIDINE TAG ATTACHED TO THE C-TERMINUS ;
src_method	man
entity_count	1

Polymer

type	polypeptide(L)
strand_id	A

MVDFIPVENLETTMRSPVFTDNSSPPAVPQSFQVAHLHAPTGSGKSTKVPAAYAAQGYKVLVLNPSVAATLGFGAYMSKAHGVDPNIRTGVRTITTGSPITYSTYGKFLADGGCSGGAYDIIICDECHSTDATSILGIGTVLDQAETAGARLVVLATATPPGSVTVPHPNIEEVALSTTGEIPFYGKAIPLEVIKGGRHLIFCHSKKKCDELAAKLVALGINAVAYYRGLDVSVIPTSGDVVVVATDALMTGFTGDFDSVIDCNTCVTQTVDFSLDPTFTIETTTLPQDAVSRTQRRGRTGRGKPGIYRFVAPGERPSGMFDSSVLCECYDAGCAWYELTPAETTVRLRAYMNTPGLPVCQDHLEFWEGVFTGLTHIDAHFLSQTKQSGENFPYLVAYQATVCARAQAPPPSWDQMWKCLIRLKPTLHGPTPLLYRLGAVQNEVTLTHPITKYIMTCMSADLEVVTGSGSHHHHHH

Source

organism	Hepatitis C virus (isolate H)
ncbi_taxonomy_id	11108
host_organism	Escherichia coli

Entity 3 non-polymer

description	SULFATE ION
formula_weight	96.1 kDa
src_method	syn
entity_count	1

Entity 4 water

description	water
formula_weight	18.0 kDa
src_method	nat
entity_count	159

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6. Citations (1)

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length_a	73.100 Å
length_b	117.500 Å
length_c	63.400 Å
angle_alpha	90.00 °
angle_beta	90.00 °
angle_gamma	90.00 °
z_pdb	4

space_group	P 21 21 2
int_tables_number	18
crystal_system	—

resolution	2.200 Å
resolution_low	6.000 Å
r_factor	0.2280
r_work	0.2280
r_free	0.2870

fit	/app/data/saxs_computation/a1/1a1v/1a1v.fit
pddf	/app/data/pr_computation/a1/1a1v/1a1v.pr.out
profile	/app/data/saxs_computation/a1/1a1v/1a1v.dat

HEPATITIS C VIRUS NS3 HELICASE DOMAIN COMPLEXED WITH SINGLE STRANDED SDNA

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

5. Entities & Polymer Info (4)

Entity 1 polymer

Polymer

Entity 2 polymer

Polymer

Source

Entity 3 non-polymer

Entity 4 water

6. Citations (1)

7. Files & Curves (10)

Files (7)

Curves (3)