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9r74

Pyrin B30.2 domain, FMF mutation I641F

Method: X-RAY DIFFRACTION D_max: 54.0 Å Quality: GOOD

SAXS Profile

P(r) Distribution

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1. Structure Basics

entry_id	9r74
deposition_date	2025-05-13
last_revision	2025-06-18
title	Pyrin B30.2 domain, FMF mutation I641F
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	17.13 Å
rg_electron	15.65 Å
i0	8293130.00
molecular_weight	21299.0 kDa
excluded_volume	26753 Å³
envelope_volume	29929 Å³
shell_volume	15768 Å³
envelope_diameter	54.0 Å
shell_rg	22.05 Å
envelope_rg	16.02 Å
shape_rg	15.62 Å
total_rg	16.86 Å
total_atoms	1499
n_residues	191
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	54.0 Å
rg_real	17.00 Å
rg_real_error	0.22 Å
i0_real	8.2930e+06
i0_real_error	8.7060e+04
rg_reciprocal	17.02 Å
i0_reciprocal	8293000.0000
total_estimate	0.8875
solution_quality	GOOD a GOOD solution
n_peaks	2
r_peak_primary	23.4 Å
skewness	0.082
kurtosis	-0.411
angular_range	— – 0.4650 Å⁻¹
current_alpha	0.0000
highest_alpha	2617000.0000
n_real_points	77
gnom_version	4.1.3
quality_criteria	AN1: 0.000; Oscil: 0.853; Stabil: 1.000; Sysdev: 1.000; Positv: 1.000; Valcen: 0.989; Smooth: 0.985

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4. Crystallography & Experiment

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5. Entities & Polymer Info (5)

Entity 1 polymer

description	Pyrin
formula_weight	21098.1 kDa
mutation	I641F
src_method	man
entity_count	1

Polymer

type	polypeptide(L)
strand_id	A
atom_count	1643

NVPELIGAQAHAVNVILDAETAYPNLIFSDDLKSVRLGNKWERLPDGPQRFDSCIFVLGSPSFLSGRRYWEVEVGDKTAWILGACKTSISRKGNMTLSPENGYWVVIMMKENEYQASSVPPTRLLIKEPPKRVGIFVDYRVGSISFYNVTARSHIYTFASCSFSGPLQPIFSPGTRDGGKNTAPLTICPVG

Source

organism	Homo sapiens
common_name	human
ncbi_taxonomy_id	9606
host_organism	Escherichia coli

Entity 2 non-polymer

description	ACETATE ION
formula_weight	59.0 kDa
src_method	syn
entity_count	1

Entity 3 non-polymer

description	THIOCYANATE ION
formula_weight	58.1 kDa
src_method	syn
entity_count	2

Entity 4 non-polymer

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

Entity 5 water

description	water
formula_weight	18.0 kDa
src_method	nat
entity_count	127

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6. Citations (1)

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length_a	60.127 Å
length_b	60.127 Å
length_c	180.698 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	2.000 Å
resolution_low	45.100 Å
r_factor	0.2110
r_work	0.2074
r_free	0.2764

fit	/app/data/saxs_computation/r7/9r74/9r74.fit
pddf	/app/data/pr_computation/r7/9r74/9r74.pr.out
profile	/app/data/saxs_computation/r7/9r74/9r74.dat