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9xut

;Crystal structure of MPXV poxin in complex with 3'3'-cGAMP ;

Method: X-RAY DIFFRACTION D_max: 115.6 Å Quality: GOOD

SAXS Profile

P(r) Distribution

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1. Structure Basics

entry_id	9xut
deposition_date	2025-11-25
title	;Crystal structure of MPXV poxin in complex with 3'3'-cGAMP ;
keywords	;Enzyme, 3'3'-cGAMP, degradation, VIRAL PROTEIN ;; VIRAL PROTEIN
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	35.00 Å
rg_electron	34.80 Å
i0	123642000.00
molecular_weight	89447.0 kDa
excluded_volume	111910 Å³
envelope_volume	145810 Å³
shell_volume	35773 Å³
envelope_diameter	117.5 Å
shell_rg	40.36 Å
envelope_rg	34.40 Å
shape_rg	34.80 Å
total_rg	35.20 Å
total_atoms	6296
n_residues	780
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	115.6 Å
rg_real	35.17 Å
rg_real_error	1.00 Å
i0_real	1.2360e+08
i0_real_error	1.8280e+06
rg_reciprocal	35.07 Å
i0_reciprocal	123600000.0000
total_estimate	0.8638
solution_quality	GOOD a GOOD solution
n_peaks	1
r_peak_primary	30.8 Å
skewness	0.365
kurtosis	-0.685
angular_range	— – 0.2250 Å⁻¹
current_alpha	0.0000
highest_alpha	21310000.0000
n_real_points	46
gnom_version	4.1.3
quality_criteria	AN1: 0.000; Oscil: 0.834; Stabil: 1.000; Sysdev: 1.000; Positv: 1.000; Valcen: 0.840; Smooth: 0.882

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4. Crystallography & Experiment

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5. Entities & Polymer Info (4)

Entity 1 polymer

description	Poxin-Schlafen
formula_weight	22421.7 kDa
src_method	man
entity_count	4

Polymer

type	polypeptide(L)
strand_id	A,B,C,D
atom_count	7222

SGGMFYAHAFGGYDENLHAFPGISSTVANDVRKYSVVSVYNKKYNIVKNKYMWCNSQVNKRYIGALLPMFECNEYLQIGDPIHDLEGNQISIVTYRHKNYYALSGIGYESLDLCLEGVGIHHHVLETGNAVYGKVQHEYSTIKEKAKEMNALKPGPIIDYHVWIGDCVCQVTTVDVHGKEIMRMRFKRGAVLPIPNLV

Source

organism	Monkeypox virus
ncbi_taxonomy_id	10244
host_organism	Escherichia coli

Entity 2 non-polymer

description	;2-amino-9-[(2R,3R,3aS,5R,7aR,9R,10R,10aS,12R,14aR)-9-(6-amino-9H-purin-9-yl)-3,5,10,12-tetrahydroxy-5,12-dioxidooctahydro-2H,7H-difuro[3,2-d:3',2'-j][1,3,7,9,2,8]tetraoxadiphosphacyclododecin-2-yl]-1,9-dihydro-6H-purin-6-one ;
formula_weight	674.4 kDa
src_method	syn
entity_count	4

Entity 3 non-polymer

description	1,2-ETHANEDIOL
formula_weight	62.1 kDa
src_method	syn
entity_count	2

Entity 4 water

description	water
formula_weight	18.0 kDa
src_method	nat
entity_count	881

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6. Citations (1)

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length_a	54.180 Å
length_b	91.850 Å
length_c	93.660 Å
angle_alpha	90.00 °
angle_beta	90.32 °
angle_gamma	90.00 °
z_pdb	8

space_group	P 1 21 1
int_tables_number	4
crystal_system	—

resolution	1.810 Å
resolution_low	54.180 Å
r_factor	0.1856
r_work	0.1841
r_free	0.2162

fit	/app/data/saxs_computation/xu/9xut/9xut.fit
pddf	/app/data/pr_computation/xu/9xut/9xut.pr.out
profile	/app/data/saxs_computation/xu/9xut/9xut.dat

;Crystal structure of MPXV poxin in complex with 3'3'-cGAMP ;

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