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1e03

PLASMA ALPHA ANTITHROMBIN-III AND PENTASACCHARIDE

Method: X-RAY DIFFRACTION D_max: 126.8 Å Quality: REASONABLE

SAXS Profile

P(r) Distribution

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1. Structure Basics

entry_id	1e03
deposition_date	2000-03-09
title	PLASMA ALPHA ANTITHROMBIN-III AND PENTASACCHARIDE
keywords	BLOOD CLOTTING, SERPIN; BLOOD CLOTTING
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	38.72 Å
rg_electron	38.66 Å
i0	155774000.00
molecular_weight	99852.0 kDa
excluded_volume	124400 Å³
envelope_volume	160330 Å³
shell_volume	37394 Å³
envelope_diameter	135.6 Å
shell_rg	40.71 Å
envelope_rg	38.41 Å
shape_rg	38.60 Å
total_rg	38.99 Å
total_atoms	6987
n_residues	841
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	126.8 Å
rg_real	39.25 Å
rg_real_error	1.73 Å
i0_real	1.5580e+08
i0_real_error	2.8930e+06
rg_reciprocal	38.93 Å
i0_reciprocal	155700000.0000
total_estimate	0.7265
solution_quality	REASONABLE a REASONABLE solution
n_peaks	2
r_peak_primary	30.9 Å
skewness	0.503
kurtosis	-0.635
angular_range	— – 0.2050 Å⁻¹
current_alpha	0.0000
highest_alpha	44780000.0000
n_real_points	42
gnom_version	4.1.3
quality_criteria	AN1: 0.000; Oscil: 0.596; Stabil: 0.994; Sysdev: 1.000; Positv: 1.000; Valcen: 0.671; Smooth: 0.000

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4. Crystallography & Experiment

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5. Entities & Polymer Info (6)

Entity 1 polymer

description	ANTITHROMBIN-III
formula_weight	49101.0 kDa
src_method	nat
entity_count	2

Polymer

type	polypeptide(L)
strand_id	I,L
atom_count	7001

HGSPVDICTAKPRDIPMNPMCIYRSPEKKATEDEGSEQKIPEATNRRVWELSKANSRFATTFYQHLADSKNDNDNIFLSPLSISTAFAMTKLGACNDTLQQLMEVFKFDTISEKTSDQIHFFFAKLNCRLYRKANKSSKLVSANRLFGDKSLTFNETYQDISELVYGAKLQPLDFKENAEQSRAAINKWVSNKTEGRITDVIPSEAINELTVLVLVNTIYFKGLWKSKFSPENTRKELFYKADGESCSASMMYQEGKFRYRRVAEGTQVLELPFKGDDITMVLILPKPEKSLAKVEKELTPEVLQEWLDELEEMMLVVHMPRFRIEDGFSLKEQLQDMGLVDLFSPEKSKLPGIVAEGRDDLYVSDAFHKAFLEVNEEGSEAAASTAVVIAGRSLNPNRVTFKANRPFLVFIREVPLNTIIFMGRVANPCVK

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 branched

description	beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose
formula_weight	586.5 kDa
src_method	man
entity_count	3

Entity 4 branched

description	;3,4-di-O-methyl-2,6-di-O-sulfo-alpha-D-glucopyranose-(1-4)-2,3-di-O-methyl-beta-D-glucopyranuronic acid-(1-4)-2,3,6-tri-O-sulfo-alpha-D-glucopyranose-(1-4)-3-O-methyl-2-O-sulfo-alpha-L-idopyranuronic acid-(1-4)-methyl 2,3,6-tri-O-sulfo-alpha-D-glucopyranoside ;
formula_weight	1661.4 kDa
src_method	man
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	2

Entity 6 water

description	water
formula_weight	18.0 kDa
src_method	nat
entity_count	14

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6. Citations (1)

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length_a	70.511 Å
length_b	87.071 Å
length_c	97.349 Å
angle_alpha	90.00 °
angle_beta	108.88 °
angle_gamma	90.00 °
z_pdb	4

space_group	P 1 21 1
int_tables_number	4
crystal_system	—

resolution	2.900 Å
resolution_low	20.000 Å
r_factor	—
r_work	0.1990
r_free	0.2520

fit	/app/data/saxs_computation/e0/1e03/1e03.fit
pddf	/app/data/pr_computation/e0/1e03/1e03.pr.out
profile	/app/data/saxs_computation/e0/1e03/1e03.dat