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9w3a

Crystal structure of PfiAT toxin-antitoxin complex

Method: X-RAY DIFFRACTION D_max: 94.0 Å Quality: GOOD

SAXS Profile

P(r) Distribution

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1. Structure Basics

entry_id	9w3a
deposition_date	2025-07-29
title	Crystal structure of PfiAT toxin-antitoxin complex
keywords	PfiAT, toxin-antitoxin, ParE family, TOXIN; TOXIN
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	30.09 Å
rg_electron	29.07 Å
i0	153377000.00
molecular_weight	98765.0 kDa
excluded_volume	124250 Å³
envelope_volume	155500 Å³
shell_volume	43431 Å³
envelope_diameter	101.1 Å
shell_rg	37.18 Å
envelope_rg	28.82 Å
shape_rg	29.08 Å
total_rg	29.82 Å
total_atoms	6964
n_residues	875
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	94.0 Å
rg_real	29.91 Å
rg_real_error	0.48 Å
i0_real	1.5340e+08
i0_real_error	2.1120e+06
rg_reciprocal	29.99 Å
i0_reciprocal	153400000.0000
total_estimate	0.8966
solution_quality	GOOD a GOOD solution
n_peaks	2
r_peak_primary	40.8 Å
skewness	0.141
kurtosis	-0.421
angular_range	— – 0.2650 Å⁻¹
current_alpha	0.0000
highest_alpha	87230000.0000
n_real_points	54
gnom_version	4.1.3
quality_criteria	AN1: 0.000; Oscil: 0.895; Stabil: 1.000; Sysdev: 1.000; Positv: 1.000; Valcen: 0.984; Smooth: 0.981

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4. Crystallography & Experiment

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5. Entities & Polymer Info (3)

Entity 1 polymer

description	PfiT protein 1
formula_weight	12995.7 kDa
src_method	man
entity_count	4

Polymer

type	polypeptide(L)
strand_id	A,B,C,D
atom_count	7129

MSPVVIRFTDTAEQSIEDQVHHLAPFQGEQAALQSVLSLLDEIEEKISLAPKGYPVSQQASLLGVLSYRELNTGPYRVFYEFHEEQGEVAVILVLRQKQSVEQQLIRYCLVGPIE

Source

organism	Pseudomonas aeruginosa
ncbi_taxonomy_id	287
host_organism	Escherichia coli

Entity 2 polymer

description	PfiA protein 1
formula_weight	9458.8 kDa
src_method	man
entity_count	6

Polymer

type	polypeptide(L)
strand_id	E,F,J,H,G,I

MRVETISYLKRHAADLDLSEPMVVTQNGVPAYVVESYAERKQRDEAIALVKLLAIGSRQYAEGKHRSVDDLKARLSRRFAQPE

Source

organism	Pseudomonas aeruginosa
ncbi_taxonomy_id	287
host_organism	Escherichia coli

Entity 3 water

description	water
formula_weight	18.0 kDa
src_method	nat
entity_count	165

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6. Citations (1)

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length_a	73.171 Å
length_b	107.408 Å
length_c	125.722 Å
angle_alpha	90.00 °
angle_beta	90.00 °
angle_gamma	90.00 °
z_pdb	24

space_group	P 21 21 21
int_tables_number	19
crystal_system	—

resolution	2.300 Å
resolution_low	49.390 Å
r_factor	—
r_work	0.2024
r_free	0.2500

fit	/app/data/saxs_computation/w3/9w3a/9w3a.fit
pddf	/app/data/pr_computation/w3/9w3a/9w3a.pr.out
profile	/app/data/saxs_computation/w3/9w3a/9w3a.dat

Crystal structure of PfiAT toxin-antitoxin complex

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

5. Entities & Polymer Info (3)

Entity 1 polymer

Polymer

Source

Entity 2 polymer

Polymer

Source

Entity 3 water

6. Citations (1)

7. Files & Curves (10)

Files (7)

Curves (3)