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9sx4

Human fumarylacetoacetate hydrolase (FAH) in complex with HT1.6

Method: X-RAY DIFFRACTION D_max: 88.1 Å Quality: EXCELLENT

SAXS Profile

P(r) Distribution

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1. Structure Basics

entry_id	9sx4
deposition_date	2025-10-08
title	Human fumarylacetoacetate hydrolase (FAH) in complex with HT1.6
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	28.68 Å
rg_electron	27.78 Å
i0	273324000.00
molecular_weight	89373.0 kDa
excluded_volume	87105 Å³
envelope_volume	140180 Å³
shell_volume	40379 Å³
envelope_diameter	91.2 Å
shell_rg	36.45 Å
envelope_rg	28.02 Å
shape_rg	27.78 Å
total_rg	28.34 Å
total_atoms	6777
n_residues	846
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	88.1 Å
rg_real	28.56 Å
rg_real_error	0.54 Å
i0_real	2.7330e+08
i0_real_error	3.7320e+06
rg_reciprocal	28.61 Å
i0_reciprocal	273300000.0000
total_estimate	0.9047
solution_quality	EXCELLENT a EXCELLENT solution
n_peaks	1
r_peak_primary	33.6 Å
skewness	0.209
kurtosis	-0.477
angular_range	— – 0.2750 Å⁻¹
current_alpha	0.0000
highest_alpha	56740000.0000
n_real_points	56
gnom_version	4.1.3
quality_criteria	AN1: 0.000; Oscil: 0.943; Stabil: 0.999; Sysdev: 1.000; Positv: 1.000; Valcen: 0.997; Smooth: 0.934

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4. Crystallography & Experiment

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5. Entities & Polymer Info (9)

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	7812

GRHMMSFIPVAEDSDFPIHNLPYGVFSTRGDPRPRIGVAIGDQILDLSIIKHLFTGPVLSKHQDVFNQPTLNSFMGLGQAAWKEARVFLQNLLSVSQARLRDDTELRKCAFISQASATMHLPATIGDYTDFYSSRQHATNVGIMFRDKENALMPNWLHLPVGYHGRASSVVVSGTPIRRPMGQMKPDDSKPPVYGACKLLDMELEMAFFVGPGNRLGEPIPISKAHEHIFGMVLMNDWSARDIQKWEYVPLGPFLGKSFGTTVSPWVVPMDALMPFAVPNPKQDPRPLPYLCHDEPYTFDINLSVNLKGEGMSQAATICKSNFKYMYWTMLQQLTHHSVNGCNLRPGDLLASGTISGPEPENFGSMLELSWKGTKPIDLGNGQTRKFLLDGDEVIITGYCQGDGYRIGFGQCAGKVLPALLPS

Source

organism	Homo sapiens
common_name	human
ncbi_taxonomy_id	9606
host_organism	Escherichia coli

Entity 2 non-polymer

description	GLYCEROL
formula_weight	92.1 kDa
src_method	syn
entity_count	12

Entity 3 non-polymer

description	DIMETHYL SULFOXIDE
formula_weight	78.1 kDa
src_method	syn
entity_count	2

Entity 4 non-polymer

description	DI(HYDROXYETHYL)ETHER
formula_weight	106.1 kDa
src_method	syn
entity_count	1

Entity 5 non-polymer

description	2,5-dimethyl-1-(4-methylpyridin-2-yl)pyrrole-3-carbaldehyde
formula_weight	214.3 kDa
src_method	syn
entity_count	2

Entity 6 non-polymer

description	CALCIUM ION
formula_weight	40.1 kDa
src_method	syn
entity_count	5

Entity 7 non-polymer

description	SODIUM ION
formula_weight	23.0 kDa
src_method	syn
entity_count	12

Entity 8 non-polymer

description	CHLORIDE ION
formula_weight	35.5 kDa
src_method	nat
entity_count	1

Entity 9 water

description	water
formula_weight	18.0 kDa
src_method	nat
entity_count	1001

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6. Citations (2)

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length_a	66.699 Å
length_b	105.314 Å
length_c	75.718 Å
angle_alpha	90.00 °
angle_beta	97.80 °
angle_gamma	90.00 °
z_pdb	4

space_group	P 1 21 1
int_tables_number	4
crystal_system	monoclinic

resolution	1.420 Å
resolution_low	61.100 Å
r_factor	0.1629
r_work	0.1613
r_free	0.1941

fit	/app/data/saxs_computation/sx/9sx4/9sx4.fit
pddf	/app/data/pr_computation/sx/9sx4/9sx4.pr.out
profile	/app/data/saxs_computation/sx/9sx4/9sx4.dat