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9sw1

Human fumarylacetoacetate hydrolase (FAH) in complex with A4

Method: X-RAY DIFFRACTION D_max: 88.7 Å Quality: EXCELLENT

SAXS Profile

P(r) Distribution

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1. Structure Basics

entry_id	9sw1
deposition_date	2025-10-04
title	Human fumarylacetoacetate hydrolase (FAH) in complex with A4
keywords	Human fumarylacetoacetate hydrolase (FAH), HYDROLASE; HYDROLASE
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	28.73 Å
rg_electron	27.66 Å
i0	139071000.00
molecular_weight	94458.0 kDa
excluded_volume	118420 Å³
envelope_volume	138100 Å³
shell_volume	39900 Å³
envelope_diameter	88.7 Å
shell_rg	36.41 Å
envelope_rg	27.98 Å
shape_rg	27.68 Å
total_rg	28.39 Å
total_atoms	13104
n_residues	842
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	88.7 Å
rg_real	28.62 Å
rg_real_error	0.41 Å
i0_real	1.3910e+08
i0_real_error	2.0600e+06
rg_reciprocal	28.67 Å
i0_reciprocal	139100000.0000
total_estimate	0.9011
solution_quality	EXCELLENT a EXCELLENT solution
n_peaks	1
r_peak_primary	33.9 Å
skewness	0.227
kurtosis	-0.460
angular_range	— – 0.2750 Å⁻¹
current_alpha	0.0000
highest_alpha	49680000.0000
n_real_points	56
gnom_version	4.1.3
quality_criteria	AN1: 0.000; Oscil: 0.936; Stabil: 1.000; Sysdev: 1.000; Positv: 1.000; Valcen: 0.997; Smooth: 0.903

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4. Crystallography & Experiment

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5. Entities & Polymer Info (6)

Entity 1 polymer

description	Fumarylacetoacetase
formula_weight	46906.7 kDa
ec_number	3.7.1.2
src_method	man
entity_count	2

Polymer

type	polypeptide(L)
strand_id	A,B
atom_count	13385

GRHMMSFIPVAEDSDFPIHNLPYGVFSTRGDPRPRIGVAIGDQILDLSIIKHLFTGPVLSKHQDVFNQPTLNSFMGLGQAAWKEARVFLQNLLSVSQARLRDDTELRKCAFISQASATMHLPATIGDYTDFYSSRQHATNVGIMFRDKENALMPNWLHLPVGYHGRASSVVVSGTPIRRPMGQMKPDDSKPPVYGACKLLDMELEMAFFVGPGNRLGEPIPISKAHEHIFGMVLMNDWSARDIQKWEYVPLGPFLGKSFGTTVSPWVVPMDALMPFAVPNPKQDPRPLPYLCHDEPYTFDINLSVNLKGEGMSQAATICKSNFKYMYWTMLQQLTHHSVNGCNLRPGDLLASGTISGPEPENFGSMLELSWKGTKPIDLGNGQTRKFLLDGDEVIITGYCQGDGYRIGFGQCAGKVLPALLPS

Source

organism	Homo sapiens
common_name	human
ncbi_taxonomy_id	9606
host_organism	Escherichia coli

Entity 2 non-polymer

description	4-[(4-carboxyphenyl)sulfonylamino]-2-oxidanyl-benzoic acid
formula_weight	337.3 kDa
src_method	syn
entity_count	2

Entity 3 non-polymer

description	GLYCEROL
formula_weight	92.1 kDa
src_method	syn
entity_count	2

Entity 4 non-polymer

description	CALCIUM ION
formula_weight	40.1 kDa
src_method	syn
entity_count	5

Entity 5 non-polymer

description	CHLORIDE ION
formula_weight	35.5 kDa
src_method	syn
entity_count	4

Entity 6 water

description	water
formula_weight	18.0 kDa
src_method	nat
entity_count	281

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6. Citations (1)

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length_a	66.377 Å
length_b	104.117 Å
length_c	75.077 Å
angle_alpha	90.00 °
angle_beta	96.74 °
angle_gamma	90.00 °
z_pdb	4

space_group	P 1 21 1
int_tables_number	4
crystal_system	monoclinic

resolution	1.990 Å
resolution_low	60.620 Å
r_factor	0.1762
r_work	0.1741
r_free	0.2179

fit	/app/data/saxs_computation/sw/9sw1/9sw1.fit
pddf	/app/data/pr_computation/sw/9sw1/9sw1.pr.out
profile	/app/data/saxs_computation/sw/9sw1/9sw1.dat