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1elv

CRYSTAL STRUCTURE OF THE CATALYTIC DOMAIN OF HUMAN COMPLEMENT C1S PROTEASE

Method: X-RAY DIFFRACTION D_max: 79.9 Å Quality: GOOD

SAXS Profile

P(r) Distribution

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1. Structure Basics

entry_id	1elv
deposition_date	2000-03-14
title	CRYSTAL STRUCTURE OF THE CATALYTIC DOMAIN OF HUMAN COMPLEMENT C1S PROTEASE
keywords	TRYPSIN-LIKE SERIN PROTEASE, CCP (OR SUSHI OR SCR)MODULE, 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	22.68 Å
rg_electron	22.00 Å
i0	20924400.00
molecular_weight	34188.0 kDa
excluded_volume	42476 Å³
envelope_volume	50729 Å³
shell_volume	20557 Å³
envelope_diameter	81.6 Å
shell_rg	27.32 Å
envelope_rg	22.58 Å
shape_rg	21.97 Å
total_rg	22.76 Å
total_atoms	2395
n_residues	303
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	79.9 Å
rg_real	22.87 Å
rg_real_error	0.62 Å
i0_real	2.0920e+07
i0_real_error	2.6330e+05
rg_reciprocal	22.82 Å
i0_reciprocal	20920000.0000
total_estimate	0.8198
solution_quality	GOOD a GOOD solution
n_peaks	2
r_peak_primary	25.4 Å
skewness	0.626
kurtosis	-0.011
angular_range	— – 0.3500 Å⁻¹
current_alpha	0.0000
highest_alpha	4665000.0000
n_real_points	67
gnom_version	4.1.3
quality_criteria	AN1: 0.000; Oscil: 0.626; Stabil: 1.000; Sysdev: 1.000; Positv: 1.000; Valcen: 0.864; Smooth: 0.913

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4. Crystallography & Experiment

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5. Entities & Polymer Info (5)

Entity 1 polymer

description	COMPLEMENT C1S COMPONENT
formula_weight	36687.5 kDa
ec_number	3.4.21.42
mutation	YES
src_method	man
entity_count	1

Polymer

type	polypeptide(L)
strand_id	A
atom_count	2736

DLDCGIPESIENGKVEDPESTLFGSVIRYTCEEPYYYMENGGGGEYHCAGNGSWVNEVLGPELPKCVPVCGVPREPFEEKQRIIGGSDADIKNFPWQVFFDNPWAGGALINEYWVLTAAHVVEGNREPTMYVGSTSVQTSRLAKSKMLTPEHVFIHPGWKLLAVPEGRTNFDNDIALVRLKDPVKMGPTVSPICLPGTSSDYNLMDGDLGLISGWGRTEKRDRAVRLKAARLPVAPLRKCKEVKVEKPTADAEAYVFTPNMICAGGEKGMDSCKGDSGGAFAVQDPNDKTKFYAAGLVSWGPQCGTYGLYTRVKNYVDWIMKTMQENSTPRED

Source

organism	Homo sapiens
common_name	human
ncbi_taxonomy_id	9606
host_organism	Spodoptera frugiperda

Entity 2 branched

description	2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose
formula_weight	570.5 kDa
src_method	man
entity_count	1

Entity 3 non-polymer

description	SULFATE ION
formula_weight	96.1 kDa
src_method	syn
entity_count	2

Entity 4 non-polymer

description	2-(2-HYDROXY-1,1-DIHYDROXYMETHYL-ETHYLAMINO)-ETHANESULFONIC ACID
formula_weight	229.3 kDa
src_method	syn
entity_count	1

Entity 5 water

description	water
formula_weight	18.0 kDa
src_method	nat
entity_count	317

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6. Citations (1)

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length_a	39.080 Å
length_b	79.650 Å
length_c	60.210 Å
angle_alpha	90.00 °
angle_beta	91.24 °
angle_gamma	90.00 °
z_pdb	2

space_group	P 1 21 1
int_tables_number	4
crystal_system	—

resolution	1.700 Å
resolution_low	15.000 Å
r_factor	—
r_work	0.1860
r_free	0.2190

fit	/app/data/saxs_computation/el/1elv/1elv.fit
pddf	/app/data/pr_computation/el/1elv/1elv.pr.out
profile	/app/data/saxs_computation/el/1elv/1elv.dat