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1br8

IMPLICATIONS FOR FUNCTION AND THERAPY OF A 2.9A STRUCTURE OF BINARY-COMPLEXED ANTITHROMBIN

Method: X-RAY DIFFRACTION D_max: 105.0 Å Quality: GOOD

SAXS Profile

P(r) Distribution

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1. Structure Basics

entry_id	1br8
deposition_date	1998-08-26
title	IMPLICATIONS FOR FUNCTION AND THERAPY OF A 2.9A STRUCTURE OF BINARY-COMPLEXED ANTITHROMBIN
keywords	SERPINS, ANTITHROMBIN, BINARY-COMPLEX, HEPARIN, POLYMERISATION, THROMBOSIS, EMPHYSEMA, CIRRHOSIS, BLOOD CLOTTING; 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	32.40 Å
rg_electron	31.58 Å
i0	130059000.00
molecular_weight	92491.0 kDa
excluded_volume	116500 Å³
envelope_volume	145120 Å³
shell_volume	38170 Å³
envelope_diameter	112.2 Å
shell_rg	38.60 Å
envelope_rg	31.61 Å
shape_rg	31.55 Å
total_rg	32.28 Å
total_atoms	6503
n_residues	814
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	105.0 Å
rg_real	32.43 Å
rg_real_error	0.74 Å
i0_real	1.3010e+08
i0_real_error	1.9560e+06
rg_reciprocal	32.42 Å
i0_reciprocal	130100000.0000
total_estimate	0.8932
solution_quality	GOOD a GOOD solution
n_peaks	2
r_peak_primary	32.1 Å
skewness	0.326
kurtosis	-0.463
angular_range	— – 0.2450 Å⁻¹
current_alpha	0.0000
highest_alpha	50090000.0000
n_real_points	50
gnom_version	4.1.3
quality_criteria	AN1: 0.000; Oscil: 0.913; Stabil: 1.000; Sysdev: 1.000; Positv: 1.000; Valcen: 0.986; Smooth: 0.882

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4. Crystallography & Experiment

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5. Entities & Polymer Info (3)

Entity 1 polymer

description	PROTEIN (ANTITHROMBIN-III)
formula_weight	49101.0 kDa
src_method	nat
entity_count	2

Polymer

type	polypeptide(L)
strand_id	L,I
atom_count	6526

HGSPVDICTAKPRDIPMNPMCIYRSPEKKATEDEGSEQKIPEATNRRVWELSKANSRFATTFYQHLADSKNDNDNIFLSPLSISTAFAMTKLGACNDTLQQLMEVFKFDTISEKTSDQIHFFFAKLNCRLYRKANKSSKLVSANRLFGDKSLTFNETYQDISELVYGAKLQPLDFKENAEQSRAAINKWVSNKTEGRITDVIPSEAINELTVLVLVNTIYFKGLWKSKFSPENTRKELFYKADGESCSASMMYQEGKFRYRRVAEGTQVLELPFKGDDITMVLILPKPEKSLAKVEKELTPEVLQEWLDELEEMMLVVHMPRFRIEDGFSLKEQLQDMGLVDLFSPEKSKLPGIVAEGRDDLYVSDAFHKAFLEVNEEGSEAAASTAVVIAGRSLNPNRVTFKANRPFLVFIREVPLNTIIFMGRVANPCVK

Entity 2 polymer

description	PROTEIN (PEPTIDE)
formula_weight	1089.2 kDa
src_method	syn
entity_count	1

Polymer

type	polypeptide(L)
strand_id	P

SEAAASTAVVIA

Entity 3 water

description	water
formula_weight	18.0 kDa
src_method	nat
entity_count	23

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6. Citations (1)

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length_a	69.120 Å
length_b	101.690 Å
length_c	87.020 Å
angle_alpha	90.00 °
angle_beta	104.36 °
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	6.000 Å
r_factor	—
r_work	—
r_free	—

fit	/app/data/saxs_computation/br/1br8/1br8.fit
pddf	/app/data/pr_computation/br/1br8/1br8.pr.out
profile	/app/data/saxs_computation/br/1br8/1br8.dat

IMPLICATIONS FOR FUNCTION AND THERAPY OF A 2.9A STRUCTURE OF BINARY-COMPLEXED ANTITHROMBIN

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

5. Entities & Polymer Info (3)

Entity 1 polymer

Polymer

Entity 2 polymer

Polymer

Entity 3 water

6. Citations (1)

7. Files & Curves (10)

Files (7)

Curves (3)