← Back to search

9whf

Crystal Structure of Duck STING bound to diABZI3

Method: X-RAY DIFFRACTION D_max: 58.9 Å Quality: REASONABLE

SAXS Profile

P(r) Distribution

▼

1. Structure Basics

entry_id	9whf
deposition_date	2025-08-26
last_revision	2026-03-04
title	Crystal Structure of Duck STING bound to diABZI3
keywords	STING, diABZI3, SIGNALING PROTEIN; SIGNALING PROTEIN
method	X-RAY DIFFRACTION

▼

Download Data

SAXS curve (.dat) P(r) distribution (.pr.out) Structure (CIF)

▼

2. SAXS Parameters (CRYSOL)

rg_guinier	17.72 Å
rg_electron	16.61 Å
i0	16441300.00
molecular_weight	20379.0 kDa
excluded_volume	19674 Å³
envelope_volume	31818 Å³
shell_volume	16060 Å³
envelope_diameter	62.0 Å
shell_rg	22.67 Å
envelope_rg	16.97 Å
shape_rg	16.54 Å
total_rg	17.47 Å
total_atoms	1544
n_residues	180
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

▼

3. P(r) Analysis (GNOM)

dmax	58.9 Å
rg_real	17.63 Å
rg_real_error	0.34 Å
i0_real	1.6440e+07
i0_real_error	1.8510e+05
rg_reciprocal	17.64 Å
i0_reciprocal	16440000.0000
total_estimate	0.6396
solution_quality	REASONABLE a REASONABLE solution
n_peaks	3
r_peak_primary	22.0 Å
skewness	0.225
kurtosis	-0.314
angular_range	— – 0.4500 Å⁻¹
current_alpha	0.0000
highest_alpha	3553000.0000
n_real_points	76
gnom_version	4.1.3
quality_criteria	AN1: 0.000; Oscil: 0.815; Stabil: 0.999; Sysdev: 0.291; Positv: 1.000; Valcen: 0.997; Smooth: 0.000

▶

4. Crystallography & Experiment

▶

5. Entities & Polymer Info (3)

Entity 1 polymer

description	Stimulator of interferon genes protein
formula_weight	22038.0 kDa
src_method	man
entity_count	1

Polymer

type	polypeptide(L)
strand_id	A
atom_count	1732

SVAHGLAWSYYVGYLKIVLPRIKECMEEISRANLNVWACRETWKLHILIPLSCNVWDDLEKADSNIQYLTDLTETTLTRGGTKKRVYKHSLYAIRDGDNQARHCAVEFATPLQTLYAMSQDECAAFSRDDRLEQAKLFYRTLEEILRGSKECAGTYRLIAYEELVEAEPHFLSREILWHLRQQQQEEF

Source

organism	Anas platyrhynchos
common_name	mallard
ncbi_taxonomy_id	8839
host_organism	Escherichia coli

Entity 2 non-polymer

description	;1-[(2E)-4-{5-carbamoyl-2-[(1-ethyl-3-methyl-1H-pyrazole-5-carbonyl)amino]-7-methoxy-1H-1,3-benzimidazol-1-yl}but-2-en-1-yl]-2-[(1-ethyl-3-methyl-1H-pyrazole-5-carbonyl)amino]-7-[3-(morpholin-4-yl)propoxy]-1H-1,3-benzimidazole-5-carboxamide ;
formula_weight	849.9 kDa
src_method	syn
entity_count	1

Entity 3 water

description	water
formula_weight	18.0 kDa
src_method	nat
entity_count	188

▶

6. Citations (1)

▶

length_a	67.050 Å
length_b	67.050 Å
length_c	98.070 Å
angle_alpha	90.00 °
angle_beta	90.00 °
angle_gamma	90.00 °
z_pdb	8

space_group	P 41 21 2
int_tables_number	92
crystal_system	—

resolution	1.650 Å
resolution_low	29.990 Å
r_factor	0.1950
r_work	0.1938
r_free	0.2153

fit	/app/data/saxs_computation/wh/9whf/9whf.fit
pddf	/app/data/pr_computation/wh/9whf/9whf.pr.out
profile	/app/data/saxs_computation/wh/9whf/9whf.dat

Crystal Structure of Duck STING bound to diABZI3

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