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9szq

Crystal structure of the E336K mutant of human Apoptosis Inducing Factor

Method: X-RAY DIFFRACTION D_max: 73.4 Å Quality: EXCELLENT

SAXS Profile

P(r) Distribution

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1. Structure Basics

entry_id	9szq
deposition_date	2025-10-15
title	Crystal structure of the E336K mutant of human Apoptosis Inducing Factor
keywords	NADH-OXIDASE, APOPTOSIS, NUCLEAR CHROMATINOLYSIS, DNA BINDING, FLAVOPROTEIN, OXIDOREDUCTASE; OXIDOREDUCTASE
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	23.66 Å
rg_electron	22.64 Å
i0	45461300.00
molecular_weight	52341.0 kDa
excluded_volume	65650 Å³
envelope_volume	76575 Å³
shell_volume	27659 Å³
envelope_diameter	74.5 Å
shell_rg	30.23 Å
envelope_rg	22.84 Å
shape_rg	22.62 Å
total_rg	23.58 Å
total_atoms	3686
n_residues	471
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	73.4 Å
rg_real	23.54 Å
rg_real_error	0.44 Å
i0_real	4.5460e+07
i0_real_error	6.3140e+05
rg_reciprocal	23.57 Å
i0_reciprocal	45460000.0000
total_estimate	0.9051
solution_quality	EXCELLENT a EXCELLENT solution
n_peaks	1
r_peak_primary	72.2 Å
skewness	0.177
kurtosis	-0.518
angular_range	— – 0.3350 Å⁻¹
current_alpha	0.0000
highest_alpha	10620000.0000
n_real_points	65
gnom_version	4.1.3
quality_criteria	AN1: 0.000; Oscil: 0.933; Stabil: 1.000; Sysdev: 1.000; Positv: 1.000; Valcen: 0.996; Smooth: 0.967

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4. Crystallography & Experiment

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5. Entities & Polymer Info (4)

Entity 1 polymer

description	Apoptosis-inducing factor 1, mitochondrial
formula_weight	58279.1 kDa
ec_number	1.6.99.-
src_method	man
entity_count	1

Polymer

type	polypeptide(L)
strand_id	A
atom_count	3947

MGSSHHHHHHGSSLVPRGSGSSKLGLTPEQKQKKAALSASEGEEVPQDKAPSHVPFLLIGGGTAAFAAARSIRARDPGARVLIVSEDPELPYMRPPLSKELWFSDDPNVTKTLRFKQWNGKERSIYFQPPSFYVSAQDLPHIENGGVAVLTGKKVVQLDVRDNMVKLNDGSQITYEKCLIATGGTPRSLSAIDRAGAEVKSRTTLFRKIGDFRSLEKISREVKSITIIGGGFLGSELACALGRKARALGTEVIQLFPKKGNMGKILPEYLSNWTMEKVRREGVKVMPNAIVQSVGVSSGKLLIKLKDGRKVETDHIVAAVGLEPNVELAKTGGLEIDSDFGGFRVNAELQARSNIWVAGDAACFYDIKLGRRRVEHHDHAVVSGRLAGENMTGAAKPYWHQSMFWSDLGPDVGYEAIGLVDSSLPTVGVFAKATAQDNPKSATEQSGTGIRSESETESEASEITIPPSTPAVPQAPVQGEDYGKGVIFYLRDKVVVGIVLWNIFNRMPIARKIIKDGEQHEDLNEVAKLFNIHED

Source

organism	Homo sapiens
common_name	human
ncbi_taxonomy_id	9606
host_organism	Escherichia coli

Entity 2 non-polymer

description	FLAVIN-ADENINE DINUCLEOTIDE
formula_weight	785.5 kDa
src_method	syn
entity_count	1

Entity 3 non-polymer

description	GLYCEROL
formula_weight	92.1 kDa
src_method	syn
entity_count	1

Entity 4 water

description	water
formula_weight	18.0 kDa
src_method	nat
entity_count	239

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6. Citations (1)

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length_a	50.283 Å
length_b	89.099 Å
length_c	60.110 Å
angle_alpha	90.00 °
angle_beta	94.69 °
angle_gamma	90.00 °
z_pdb	2

space_group	P 1 21 1
int_tables_number	4
crystal_system	—

resolution	1.800 Å
resolution_low	50.160 Å
r_factor	0.1697
r_work	0.1679
r_free	0.2029

fit	/app/data/saxs_computation/sz/9szq/9szq.fit
pddf	/app/data/pr_computation/sz/9szq/9szq.pr.out
profile	/app/data/saxs_computation/sz/9szq/9szq.dat

Crystal structure of the E336K mutant of human Apoptosis Inducing Factor

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