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9q1f

Choanoflagellate Salpingoeca macrocollata STING

Method: X-RAY DIFFRACTION D_max: 96.4 Å Quality: EXCELLENT

SAXS Profile

P(r) Distribution

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1. Structure Basics

entry_id	9q1f
deposition_date	2025-08-13
last_revision	2025-10-01
title	Choanoflagellate Salpingoeca macrocollata STING
keywords	Innate immunity, Cyclic dinucleotide signaling, Stimulator of Interferon Genes, cGAS-STING, IMMUNE SYSTEM; IMMUNE SYSTEM
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	31.08 Å
rg_electron	30.35 Å
i0	113402000.00
molecular_weight	82583.0 kDa
excluded_volume	102820 Å³
envelope_volume	131530 Å³
shell_volume	36389 Å³
envelope_diameter	96.5 Å
shell_rg	37.22 Å
envelope_rg	30.23 Å
shape_rg	30.35 Å
total_rg	30.97 Å
total_atoms	5804
n_residues	734
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	96.4 Å
rg_real	30.99 Å
rg_real_error	0.75 Å
i0_real	1.1340e+08
i0_real_error	1.7640e+06
rg_reciprocal	31.03 Å
i0_reciprocal	113400000.0000
total_estimate	0.9040
solution_quality	EXCELLENT a EXCELLENT solution
n_peaks	1
r_peak_primary	37.8 Å
skewness	0.199
kurtosis	-0.584
angular_range	— – 0.2550 Å⁻¹
current_alpha	0.0000
highest_alpha	26430000.0000
n_real_points	52
gnom_version	4.1.3
quality_criteria	AN1: 0.000; Oscil: 0.964; Stabil: 0.999; Sysdev: 1.000; Positv: 1.000; Valcen: 0.998; Smooth: 0.860

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4. Crystallography & Experiment

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5. Entities & Polymer Info (3)

Entity 1 polymer

description	Endolysin,Stimulator of interferon genes
formula_weight	42160.8 kDa
ec_number	3.2.1.17
src_method	man
entity_count	2

Polymer

type	polypeptide(L)
strand_id	A,B
atom_count	5928

MNIFEMLRIDQGLRLKIYKDTEGYYTIGIGHLLTKSPSLNAAKSELDKAIGRNTNGVITKDEAEKLFNQDVDAAVRGILRNAKLKPVYDSLDAVRRAALINMVFQMGETGVAGFTNSLRMLQQKRWDEAAVNLAKSRWYNQTPNRAKRVITTFRTGTWDAYGSDPGMLDVGAASAQSIWSGYLEIILSNGAMDARKIRHQTQPCDCGTLGHPSPEFKNVYGANSIVLPVLFELAPLDGDVPEGVATEAELAIHFPECESLKVHPELHVEPVTNDRAGVKGRSYGQHTVYSLLRSDSDDDARVFFPMEWATPISTVKSMNLEDSMLRVQLKAFCARFDQLVSQSQNHSHEIKLVKGLSRGDVGRAIIDAVREEQNRLQAV

Source

organism	Salpingoeca macrocollata
ncbi_taxonomy_id	1924736
host_organism	Escherichia coli

Entity 2 non-polymer

description	cGAMP
formula_weight	674.4 kDa
src_method	nat
entity_count	1

Entity 3 water

description	water
formula_weight	18.0 kDa
src_method	nat
entity_count	79

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6. Citations (1)

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length_a	66.946 Å
length_b	88.743 Å
length_c	76.023 Å
angle_alpha	90.00 °
angle_beta	94.14 °
angle_gamma	90.00 °
z_pdb	4

space_group	P 1 21 1
int_tables_number	4
crystal_system	—

resolution	2.650 Å
resolution_low	34.040 Å
r_factor	0.2457
r_work	0.2433
r_free	0.2748

fit	/app/data/saxs_computation/q1/9q1f/9q1f.fit
pddf	/app/data/pr_computation/q1/9q1f/9q1f.pr.out
profile	/app/data/saxs_computation/q1/9q1f/9q1f.dat

Choanoflagellate Salpingoeca macrocollata STING

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