SAXSdb — 1e05

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1. Structure Basics

entry_id	1e05
deposition_date	2000-03-09
title	PLASMA ALPHA ANTITHROMBIN-III
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	38.15 Å
rg_electron	38.31 Å
i0	141482000.00
molecular_weight	97253.0 kDa
excluded_volume	122210 Å³
envelope_volume	157700 Å³
shell_volume	37090 Å³
envelope_diameter	144.8 Å
shell_rg	40.19 Å
envelope_rg	38.54 Å
shape_rg	38.28 Å
total_rg	38.52 Å
total_atoms	6833
n_residues	834
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	132.2 Å
rg_real	38.72 Å
rg_real_error	1.76 Å
i0_real	1.4150e+08
i0_real_error	2.6890e+06
rg_reciprocal	38.37 Å
i0_reciprocal	141400000.0000
total_estimate	0.4872
solution_quality	SUSPICIOUS a SUSPICIOUS solution
n_peaks	2
r_peak_primary	29.0 Å
skewness	0.560
kurtosis	-0.500
angular_range	— – 0.2050 Å⁻¹
current_alpha	0.0000
highest_alpha	80530000.0000
n_real_points	42
gnom_version	4.1.3
quality_criteria	AN1: 0.000; Oscil: 0.468; Stabil: 0.994; Sysdev: 0.132; Positv: 1.000; Valcen: 0.547; Smooth: 0.000

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4. Crystallography & Experiment

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5. Entities & Polymer Info (9)

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	6903

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	2

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	1

Entity 4 branched

description	;beta-D-galactopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-2)-alpha-D-mannopyranose-(1-6)-[beta-D-mannopyranose-(1-2)-alpha-D-mannopyranose-(1-3)]alpha-L-gulopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose ;
formula_weight	1438.3 kDa
src_method	man
entity_count	1

Entity 5 non-polymer

description	alpha-D-mannopyranose
formula_weight	180.2 kDa
src_method	man
entity_count	3

Entity 6 non-polymer

description	2-acetamido-2-deoxy-beta-D-glucopyranose
formula_weight	221.2 kDa
src_method	man
entity_count	4

Entity 7 non-polymer

description	GLYCEROL
formula_weight	92.1 kDa
src_method	syn
entity_count	2

Entity 8 non-polymer

description	PHOSPHATE ION
formula_weight	95.0 kDa
src_method	syn
entity_count	1

Entity 9 water

description	water
formula_weight	18.0 kDa
src_method	nat
entity_count	70

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6. Citations (1)

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length_a	61.410 Å
length_b	98.310 Å
length_c	90.410 Å
angle_alpha	90.00 °
angle_beta	103.32 °
angle_gamma	90.00 °
z_pdb	4

space_group	P 1 21 1
int_tables_number	4
crystal_system	—

resolution	2.620 Å
resolution_low	20.000 Å
r_factor	—
r_work	0.1960
r_free	0.2560

fit	/app/data/saxs_computation/e0/1e05/1e05.fit
pddf	/app/data/pr_computation/e0/1e05/1e05.pr.out
profile	/app/data/saxs_computation/e0/1e05/1e05.dat

PLASMA ALPHA ANTITHROMBIN-III

SAXS Profile

P(r) Distribution