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1egc

STRUCTURE OF T255E, E376G MUTANT OF HUMAN MEDIUM CHAIN ACYL-COA DEHYDROGENASE COMPLEXED WITH OCTANOYL-COA

Method: X-RAY DIFFRACTION D_max: 106.8 Å Quality: EXCELLENT

SAXS Profile

P(r) Distribution

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1. Structure Basics

entry_id	1egc
deposition_date	1996-04-11
title	STRUCTURE OF T255E, E376G MUTANT OF HUMAN MEDIUM CHAIN ACYL-COA DEHYDROGENASE COMPLEXED WITH OCTANOYL-COA
keywords	ACYL-COA DEHYDROGENASE, FLAVOPROTEIN, ELECTRON TRANSFER; ELECTRON TRANSFER
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	34.99 Å
rg_electron	34.36 Å
i0	492197000.00
molecular_weight	176960.0 kDa
excluded_volume	220070 Å³
envelope_volume	259840 Å³
shell_volume	60464 Å³
envelope_diameter	111.1 Å
shell_rg	42.87 Å
envelope_rg	34.42 Å
shape_rg	34.37 Å
total_rg	34.82 Å
total_atoms	12400
n_residues	1548
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	106.8 Å
rg_real	34.79 Å
rg_real_error	0.65 Å
i0_real	4.9220e+08
i0_real_error	7.7400e+06
rg_reciprocal	34.92 Å
i0_reciprocal	492300000.0000
total_estimate	0.9065
solution_quality	EXCELLENT a EXCELLENT solution
n_peaks	1
r_peak_primary	45.1 Å
skewness	0.086
kurtosis	-0.620
angular_range	— – 0.2250 Å⁻¹
current_alpha	0.0000
highest_alpha	219700000.0000
n_real_points	46
gnom_version	4.1.3
quality_criteria	AN1: 0.000; Oscil: 0.948; Stabil: 1.000; Sysdev: 1.000; Positv: 1.000; Valcen: 0.982; Smooth: 0.955

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4. Crystallography & Experiment

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5. Entities & Polymer Info (4)

Entity 1 polymer

description	MEDIUM CHAIN ACYL-COA DEHYDROGENASE
formula_weight	43651.8 kDa
ec_number	1.3.99.3
mutation	T255E, E376G
src_method	man
entity_count	4

Polymer

type	polypeptide(L)
strand_id	A,B,C,D
atom_count	12536

KANRQREPGLGFSFEFTEQQKEFQATARKFAREEIIPVAAEYDKTGEYPVPLIRRAWELGLMNTHIPENCGGLGLGTFDACLISEELAYGCTGVQTAIEGNSLGQMPIIIAGNDQQKKKYLGRMTEEPLMCAYCVTEPGAGSDVAGIKTKAEKKGDEYIINGQKMWITNGGKANWYFLLARSDPDPKAPANKAFTGFIVEADTPGIQIGRKELNMGQRCSDTRGIVFEDVKVPKENVLIGDGAGFKVAMGAFDKERPVVAAGAVGLAQRALDEATKYALERKTFGKLLVEHQAISFMLAEMAMKVELARMSYQRAAWEVDSGRRNTYYASIAKAFAGDIANQLATDAVQILGGNGFNTEYPVEKLMRDAKIYQIYGGTSQIQRLIVAREHIDKYKN

Source

organism	Homo sapiens
common_name	human
ncbi_taxonomy_id	9606

Entity 2 non-polymer

description	OCTANOYL-COENZYME A
formula_weight	893.7 kDa
src_method	syn
entity_count	4

Entity 3 non-polymer

description	FLAVIN-ADENINE DINUCLEOTIDE
formula_weight	785.5 kDa
src_method	syn
entity_count	4

Entity 4 water

description	water
formula_weight	18.0 kDa
src_method	nat
entity_count	136

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6. Citations (1)

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length_a	170.000 Å
length_b	170.000 Å
length_c	149.870 Å
angle_alpha	90.00 °
angle_beta	90.00 °
angle_gamma	90.00 °
z_pdb	32

space_group	P 43 21 2
int_tables_number	96
crystal_system	—

resolution	2.600 Å
resolution_low	10.000 Å
r_factor	0.2170
r_work	0.2170
r_free	—

fit	/app/data/saxs_computation/eg/1egc/1egc.fit
pddf	/app/data/pr_computation/eg/1egc/1egc.pr.out
profile	/app/data/saxs_computation/eg/1egc/1egc.dat