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9xuu

Crystal structure of MPXV poxin in complex with c-di-GMP

Method: X-RAY DIFFRACTION D_max: 115.2 Å Quality: GOOD

SAXS Profile

P(r) Distribution

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1. Structure Basics

entry_id	9xuu
deposition_date	2025-11-25
last_revision	2026-05-27
title	Crystal structure of MPXV poxin in complex with c-di-GMP
keywords	Enzyme, c-di-GMP, 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	34.86 Å
rg_electron	34.63 Å
i0	123504000.00
molecular_weight	89322.0 kDa
excluded_volume	111750 Å³
envelope_volume	146230 Å³
shell_volume	35952 Å³
envelope_diameter	115.6 Å
shell_rg	40.33 Å
envelope_rg	34.22 Å
shape_rg	34.63 Å
total_rg	35.05 Å
total_atoms	6288
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	115.2 Å
rg_real	35.01 Å
rg_real_error	0.97 Å
i0_real	1.2350e+08
i0_real_error	2.1880e+06
rg_reciprocal	34.93 Å
i0_reciprocal	123500000.0000
total_estimate	0.8683
solution_quality	GOOD a GOOD solution
n_peaks	1
r_peak_primary	30.7 Å
skewness	0.361
kurtosis	-0.675
angular_range	— – 0.2250 Å⁻¹
current_alpha	0.0000
highest_alpha	22390000.0000
n_real_points	46
gnom_version	4.1.3
quality_criteria	AN1: 0.000; Oscil: 0.845; Stabil: 1.000; Sysdev: 1.000; Positv: 1.000; Valcen: 0.856; Smooth: 0.891

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4. Crystallography & Experiment

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5. Entities & Polymer Info (3)

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	7164

SGGMFYAHAFGGYDENLHAFPGISSTVANDVRKYSVVSVYNKKYNIVKNKYMWCNSQVNKRYIGALLPMFECNEYLQIGDPIHDLEGNQISIVTYRHKNYYALSGIGYESLDLCLEGVGIHHHVLETGNAVYGKVQHEYSTIKEKAKEMNALKPGPIIDYHVWIGDCVCQVTTVDVHGKEIMRMRFKRGAVLPIPNLV

Source

organism	Monkeypox virus
ncbi_taxonomy_id	10244
host_organism	Escherichia coli

Entity 2 non-polymer

description	;9,9'-[(2R,3R,3aS,5S,7aR,9R,10R,10aS,12S,14aR)-3,5,10,12-tetrahydroxy-5,12-dioxidooctahydro-2H,7H-difuro[3,2-d:3',2'-j][1,3,7,9,2,8]tetraoxadiphosphacyclododecine-2,9-diyl]bis(2-amino-1,9-dihydro-6H-purin-6-one) ;
formula_weight	690.4 kDa
src_method	syn
entity_count	4

Entity 3 water

description	water
formula_weight	18.0 kDa
src_method	nat
entity_count	832

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6. Citations (1)

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length_a	54.290 Å
length_b	91.700 Å
length_c	93.660 Å
angle_alpha	90.00 °
angle_beta	90.45 °
angle_gamma	90.00 °
z_pdb	8

space_group	P 1 21 1
int_tables_number	4
crystal_system	—

resolution	1.940 Å
resolution_low	46.810 Å
r_factor	0.1633
r_work	0.1613
r_free	0.2022

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

Crystal structure of MPXV poxin in complex with c-di-GMP

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