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9r73

Pyrin B30.2 domain, FMF mutation delta-Ile692

Method: X-RAY DIFFRACTION D_max: 53.6 Å Quality: GOOD

SAXS Profile

P(r) Distribution

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1. Structure Basics

entry_id	9r73
deposition_date	2025-05-13
last_revision	2025-06-18
title	Pyrin B30.2 domain, FMF mutation delta-Ile692
keywords	Familial Mediterranean fever, MEFV, SIGNALING PROTEIN; SIGNALING 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	17.15 Å
rg_electron	15.67 Å
i0	8185230.00
molecular_weight	21093.0 kDa
excluded_volume	26480 Å³
envelope_volume	29768 Å³
shell_volume	15691 Å³
envelope_diameter	53.5 Å
shell_rg	21.98 Å
envelope_rg	16.06 Å
shape_rg	15.64 Å
total_rg	16.85 Å
total_atoms	1484
n_residues	190
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	53.6 Å
rg_real	17.02 Å
rg_real_error	0.20 Å
i0_real	8.1850e+06
i0_real_error	7.8020e+04
rg_reciprocal	17.03 Å
i0_reciprocal	8185000.0000
total_estimate	0.8894
solution_quality	GOOD a GOOD solution
n_peaks	1
r_peak_primary	52.9 Å
skewness	0.084
kurtosis	-0.409
angular_range	— – 0.4650 Å⁻¹
current_alpha	0.0000
highest_alpha	2563000.0000
n_real_points	77
gnom_version	4.1.3
quality_criteria	AN1: 0.000; Oscil: 0.867; Stabil: 1.000; Sysdev: 1.000; Positv: 1.000; Valcen: 0.987; Smooth: 0.968

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4. Crystallography & Experiment

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5. Entities & Polymer Info (4)

Entity 1 polymer

description	Pyrin
formula_weight	20950.9 kDa
mutation	delte-Ile692
src_method	man
entity_count	1

Polymer

type	polypeptide(L)
strand_id	A
atom_count	1687

NVPELIGAQAHAVNVILDAETAYPNLIFSDDLKSVRLGNKWERLPDGPQRFDSCIIVLGSPSFLSGRRYWEVEVGDKTAWILGACKTSISRKGNMTLSPENGYWVVMMKENEYQASSVPPTRLLIKEPPKRVGIFVDYRVGSISFYNVTARSHIYTFASCSFSGPLQPIFSPGTRDGGKNTAPLTICPVG

Source

organism	Homo sapiens
common_name	human
ncbi_taxonomy_id	9606
host_organism	Escherichia coli

Entity 2 non-polymer

description	THIOCYANATE ION
formula_weight	58.1 kDa
src_method	syn
entity_count	2

Entity 3 non-polymer

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

Entity 4 water

description	water
formula_weight	18.0 kDa
src_method	nat
entity_count	142

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6. Citations (1)

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length_a	59.540 Å
length_b	59.540 Å
length_c	179.414 Å
angle_alpha	90.00 °
angle_beta	90.00 °
angle_gamma	120.00 °
z_pdb	12

space_group	P 65 2 2
int_tables_number	179
crystal_system	—

resolution	1.440 Å
resolution_low	44.740 Å
r_factor	0.1759
r_work	0.1748
r_free	0.1971

fit	/app/data/saxs_computation/r7/9r73/9r73.fit
pddf	/app/data/pr_computation/r7/9r73/9r73.pr.out
profile	/app/data/saxs_computation/r7/9r73/9r73.dat

Pyrin B30.2 domain, FMF mutation delta-Ile692

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