SAXSdb — 1e04

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1. Structure Basics

entry_id	1e04
deposition_date	2000-03-09
title	PLASMA BETA 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	37.95 Å
rg_electron	38.16 Å
i0	133412000.00
molecular_weight	94544.0 kDa
excluded_volume	118850 Å³
envelope_volume	153170 Å³
shell_volume	36233 Å³
envelope_diameter	141.8 Å
shell_rg	40.00 Å
envelope_rg	38.31 Å
shape_rg	38.13 Å
total_rg	38.37 Å
total_atoms	6644
n_residues	815
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	130.8 Å
rg_real	38.52 Å
rg_real_error	1.25 Å
i0_real	1.3340e+08
i0_real_error	2.3380e+06
rg_reciprocal	38.17 Å
i0_reciprocal	133400000.0000
total_estimate	0.7506
solution_quality	GOOD a GOOD solution
n_peaks	1
r_peak_primary	31.1 Å
skewness	0.557
kurtosis	-0.518
angular_range	— – 0.2100 Å⁻¹
current_alpha	0.0000
highest_alpha	83460000.0000
n_real_points	43
gnom_version	4.1.3
quality_criteria	AN1: 0.000; Oscil: 0.501; Stabil: 1.000; Sysdev: 1.000; Positv: 1.000; Valcen: 0.597; Smooth: 0.653

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4. Crystallography & Experiment

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5. Entities & Polymer Info (8)

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	6728

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	4

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	;alpha-D-mannopyranose-(1-3)-[alpha-D-mannopyranose-(1-6)]beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose ;
formula_weight	910.8 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	1

Entity 6 non-polymer

description	GLYCEROL
formula_weight	92.1 kDa
src_method	syn
entity_count	2

Entity 7 non-polymer

description	PHOSPHATE ION
formula_weight	95.0 kDa
src_method	syn
entity_count	1

Entity 8 water

description	water
formula_weight	18.0 kDa
src_method	nat
entity_count	84

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6. Citations (1)

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length_a	62.050 Å
length_b	99.336 Å
length_c	88.593 Å
angle_alpha	90.00 °
angle_beta	102.29 °
angle_gamma	90.00 °
z_pdb	4

space_group	P 1 21 1
int_tables_number	4
crystal_system	—

resolution	2.600 Å
resolution_low	20.000 Å
r_factor	—
r_work	0.2050
r_free	0.2430

fit	/app/data/saxs_computation/e0/1e04/1e04.fit
pddf	/app/data/pr_computation/e0/1e04/1e04.pr.out
profile	/app/data/saxs_computation/e0/1e04/1e04.dat

PLASMA BETA ANTITHROMBIN-III

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