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1cu1

CRYSTAL STRUCTURE OF AN ENZYME COMPLEX FROM HEPATITIS C VIRUS

Method: X-RAY DIFFRACTION D_max: 112.9 Å Quality: GOOD

SAXS Profile

P(r) Distribution

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1. Structure Basics

entry_id	1cu1
deposition_date	1999-08-20
title	CRYSTAL STRUCTURE OF AN ENZYME COMPLEX FROM HEPATITIS C VIRUS
keywords	hepatitis C Virus, bifunctional, protease-helicase, 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	34.35 Å
rg_electron	33.57 Å
i0	300389000.00
molecular_weight	137290.0 kDa
excluded_volume	171190 Å³
envelope_volume	220660 Å³
shell_volume	54120 Å³
envelope_diameter	118.3 Å
shell_rg	40.97 Å
envelope_rg	32.89 Å
shape_rg	33.58 Å
total_rg	34.09 Å
total_atoms	9626
n_residues	1290
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	112.9 Å
rg_real	34.24 Å
rg_real_error	0.86 Å
i0_real	3.0040e+08
i0_real_error	4.8050e+06
rg_reciprocal	34.31 Å
i0_reciprocal	300400000.0000
total_estimate	0.8738
solution_quality	GOOD a GOOD solution
n_peaks	2
r_peak_primary	44.2 Å
skewness	0.282
kurtosis	-0.158
angular_range	— – 0.2300 Å⁻¹
current_alpha	0.0000
highest_alpha	64100000.0000
n_real_points	47
gnom_version	4.1.3
quality_criteria	AN1: 0.000; Oscil: 0.810; Stabil: 1.000; Sysdev: 1.000; Positv: 1.000; Valcen: 0.987; Smooth: 0.939

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4. Crystallography & Experiment

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5. Entities & Polymer Info (4)

Entity 1 polymer

description	PROTEIN (PROTEASE/HELICASE NS3)
formula_weight	68566.8 kDa
ec_number	3.4.21.-
src_method	man
entity_count	2

Polymer

type	polypeptide(L)
strand_id	A,B
atom_count	9894

GSVVIVGRIILSGSGSITAYSQQTRGLLGCIITSLTGRDKNQVEGEVQVVSTATQSFLATCVNGVCWTVYHGAGSKTLAGPKGPITQMYTNVDQDLVGWQAPPGARSLTPCTCGSSDLYLVTRHADVIPVRRRGDSRGSLLSPRPVSYLKGSSGGPLLCPSGHAVGIFRAAVCTRGVAKAVDFVPVESMETTMRSPVFTDNSSPPAVPQSFQVAHLHAPTGSGKSTKVPAAYAAQGYKVLVLNPSVAATLGFGAYMSKAHGIDPNIRTGVRTITTGAPVTYSTYGKFLADGGCSGGAYDIIICDECHSTDSTTILGIGTVLDQAETAGARLVVLATATPPGSVTVPHPNIEEVALSNTGEIPFYGKAIPIEAIRGGRHLIFCHSKKKCDELAAKLSGLGINAVAYYRGLDVSVIPTIGDVVVVATDALMTGYTGDFDSVIDCNTCVTQTVDFSLDPTFTIETTTVPQDAVSRSQRRGRTGRGRRGIYRFVTPGERPSGMFDSSVLCECYDAGCAWYELTPAETSVRLRAYLNTPGLPVCQDHLEFWESVFTGLTHIDAHFLSQTKQAGDNFPYLVAYQATVCARAQAPPPSWDQMWKCLIRLKPTLHGPTPLLYRLGAVQNEVTLTHPITKYIMACMSADLEVVT

Source

organism	Hepatitis C virus
ncbi_taxonomy_id	11103
host_organism	Escherichia coli

Entity 2 non-polymer

description	ZINC ION
formula_weight	65.4 kDa
src_method	syn
entity_count	2

Entity 3 non-polymer

description	PHOSPHATE ION
formula_weight	95.0 kDa
src_method	syn
entity_count	2

Entity 4 water

description	water
formula_weight	18.0 kDa
src_method	nat
entity_count	268

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6. Citations (1)

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length_a	91.360 Å
length_b	110.510 Å
length_c	141.200 Å
angle_alpha	90.00 °
angle_beta	90.00 °
angle_gamma	90.00 °
z_pdb	8

space_group	P 21 21 21
int_tables_number	19
crystal_system	—

resolution	2.500 Å
resolution_low	40.000 Å
r_factor	0.2000
r_work	0.2000
r_free	0.2600

fit	/app/data/saxs_computation/cu/1cu1/1cu1.fit
pddf	/app/data/pr_computation/cu/1cu1/1cu1.pr.out
profile	/app/data/saxs_computation/cu/1cu1/1cu1.dat