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1dg6

CRYSTAL STRUCTURE OF APO2L/TRAIL

Method: X-RAY DIFFRACTION D_max: 69.1 Å Quality: GOOD

SAXS Profile

P(r) Distribution

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1. Structure Basics

entry_id	1dg6
deposition_date	1999-11-23
title	CRYSTAL STRUCTURE OF APO2L/TRAIL
keywords	CYTOKINE, TNF, TRIMER, ZINC-BINDING SITE, APOPTOSIS; APOPTOSIS
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	18.15 Å
rg_electron	17.00 Å
i0	5924500.00
molecular_weight	17515.0 kDa
excluded_volume	21839 Å³
envelope_volume	25932 Å³
shell_volume	13563 Å³
envelope_diameter	68.2 Å
shell_rg	22.33 Å
envelope_rg	17.83 Å
shape_rg	16.92 Å
total_rg	18.16 Å
total_atoms	1234
n_residues	149
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	69.1 Å
rg_real	18.26 Å
rg_real_error	0.65 Å
i0_real	5.9250e+06
i0_real_error	8.1810e+04
rg_reciprocal	18.25 Å
i0_reciprocal	5924000.0000
total_estimate	0.8019
solution_quality	GOOD a GOOD solution
n_peaks	2
r_peak_primary	19.6 Å
skewness	0.536
kurtosis	0.014
angular_range	— – 0.4400 Å⁻¹
current_alpha	0.0000
highest_alpha	1802000.0000
n_real_points	75
gnom_version	4.1.3
quality_criteria	AN1: 0.000; Oscil: 0.554; Stabil: 1.000; Sysdev: 1.000; Positv: 1.000; Valcen: 0.760; Smooth: 0.999

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4. Crystallography & Experiment

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5. Entities & Polymer Info (4)

Entity 1 polymer

description	APO2L/TNF-RELATED APOPOTIS INDUCING LIGAND (TRAIL)
formula_weight	22106.8 kDa
mutation	D218A
src_method	man
entity_count	1

Polymer

type	polypeptide(L)
strand_id	A
atom_count	1477

MILRTSEETISTVQEKQQNISPLVRERGPQRVAAHITGTRGRSNTLSSPNSKNEKALGRKINSWESSRSGHSFLSNLHLRNGELVIHEKGFYYIYSQTYFRFQEEIKENTKNDKQMVQYIYKYTSYPAPILLMKSARNSCWSKDAEYGLYSIYQGGIFELKENDRIFVSVTNEHLIDMDHEASFFGAFLVG

Source

organism	Homo sapiens
common_name	human
ncbi_taxonomy_id	9606
host_organism	Escherichia coli

Entity 2 non-polymer

description	ZINC ION
formula_weight	65.4 kDa
src_method	syn
entity_count	1

Entity 3 non-polymer

description	CHLORIDE ION
formula_weight	35.5 kDa
src_method	syn
entity_count	1

Entity 4 water

description	water
formula_weight	18.0 kDa
src_method	nat
entity_count	226

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6. Citations (1)

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length_a	66.435 Å
length_b	66.435 Å
length_c	197.727 Å
angle_alpha	90.00 °
angle_beta	90.00 °
angle_gamma	120.00 °
z_pdb	18

space_group	H 3 2
int_tables_number	155
crystal_system	—

resolution	1.300 Å
resolution_low	20.000 Å
r_factor	0.1410
r_work	0.1410
r_free	0.1970

fit	/app/data/saxs_computation/dg/1dg6/1dg6.fit
pddf	/app/data/pr_computation/dg/1dg6/1dg6.pr.out
profile	/app/data/saxs_computation/dg/1dg6/1dg6.dat

CRYSTAL STRUCTURE OF APO2L/TRAIL

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