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9qqv

Structure of the F13 protein of Vaccinia virus in complex with G243-1720

Method: X-RAY DIFFRACTION D_max: 65.8 Å Quality: GOOD

SAXS Profile

P(r) Distribution

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1. Structure Basics

entry_id	9qqv
deposition_date	2025-04-02
title	Structure of the F13 protein of Vaccinia virus in complex with G243-1720
keywords	poxvirus, phospholipase D, vaccinia virus, 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	20.71 Å
rg_electron	19.81 Å
i0	52899000.00
molecular_weight	38089.0 kDa
excluded_volume	36874 Å³
envelope_volume	58717 Å³
shell_volume	23923 Å³
envelope_diameter	68.8 Å
shell_rg	27.15 Å
envelope_rg	20.12 Å
shape_rg	19.78 Å
total_rg	20.52 Å
total_atoms	2886
n_residues	357
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	65.8 Å
rg_real	20.58 Å
rg_real_error	0.38 Å
i0_real	5.2900e+07
i0_real_error	6.9640e+05
rg_reciprocal	20.61 Å
i0_reciprocal	52900000.0000
total_estimate	0.8132
solution_quality	GOOD a GOOD solution
n_peaks	2
r_peak_primary	25.8 Å
skewness	0.192
kurtosis	-0.358
angular_range	— – 0.3850 Å⁻¹
current_alpha	0.0000
highest_alpha	10970000.0000
n_real_points	70
gnom_version	4.1.3
quality_criteria	AN1: 0.000; Oscil: 0.859; Stabil: 0.999; Sysdev: 1.000; Positv: 1.000; Valcen: 0.992; Smooth: 0.000

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4. Crystallography & Experiment

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5. Entities & Polymer Info (5)

Entity 1 polymer

description	Envelope phospholipase OPG057
formula_weight	44363.1 kDa
ec_number	3.1.1.-,3.1.4.4
src_method	man
entity_count	1

Polymer

type	polypeptide(L)
strand_id	A
atom_count	2901

HHHHHHHHGSGAGWSHPQFEKGGSGLVPRGSGSVPAGAKCRLVETLPENMDFRSDHLTTFECFNEIITLAKKYIYIASFCCNPLSTTRGALIFDKLKEASEKGIKIIVLLDERGKRNLGELQSHCPDINFITVNIDKKNNVGLLLGCFWVSDDERCYVGNASFTGGSIHTIKTLGVYSDYPPLATDLRRRFDTFKAFNSAKNSAANLASAAAALPVSTAYHIKNPIGGVFFTDSPEHLLGYSRDLDTDVVIDKLKSAKTSIDIEHLAIVPTTRVDGNSYYWPDIYNSIIEAAINRGVKIRLLVGNWDKNDVYSMATARSLDALCVQNDLSVKVFTIQNNTKLLIVDDEYVHITSANFDGTHYQNHGFVSFNSIDKQLVSEAKKIFERDWVSSHSKSLKI

Source

organism	Vaccinia virus Western Reserve
ncbi_taxonomy_id	696871
host_organism	Escherichia coli BL21(DE3)

Entity 2 non-polymer

description	GLYCEROL
formula_weight	92.1 kDa
src_method	syn
entity_count	3

Entity 3 non-polymer

description	CITRIC ACID
formula_weight	192.1 kDa
src_method	syn
entity_count	1

Entity 4 non-polymer

description	4-(azepan-1-ylcarbonyl)-~{N}-(2-chloranyl-4-methyl-phenyl)-1,2,5-trimethyl-pyrrole-3-sulfonamide
formula_weight	438.0 kDa
src_method	syn
entity_count	1

Entity 5 water

description	water
formula_weight	18.0 kDa
src_method	nat
entity_count	15

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6. Citations (1)

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length_a	281.495 Å
length_b	281.495 Å
length_c	281.495 Å
angle_alpha	90.00 °
angle_beta	90.00 °
angle_gamma	90.00 °
z_pdb	96

space_group	F 4 3 2
int_tables_number	209
crystal_system	cubic

resolution	3.400 Å
resolution_low	39.420 Å
r_factor	0.2283
r_work	0.2262
r_free	0.2730

fit	/app/data/saxs_computation/qq/9qqv/9qqv.fit
pddf	/app/data/pr_computation/qq/9qqv/9qqv.pr.out
profile	/app/data/saxs_computation/qq/9qqv/9qqv.dat