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1e3s

Rat brain 3-hydroxyacyl-CoA dehydrogenase binary complex with NADH

Method: X-RAY DIFFRACTION D_max: 89.6 Å Quality: EXCELLENT

SAXS Profile

P(r) Distribution

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1. Structure Basics

entry_id	1e3s
deposition_date	2000-06-22
title	Rat brain 3-hydroxyacyl-CoA dehydrogenase binary complex with NADH
keywords	OXIDOREDUCTASE, DEHYDROGENASE, BETA-OXIDATION OF FATTY ACIDS, STEROIDS, AMYLOID BINDING; 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	29.17 Å
rg_electron	28.15 Å
i0	164531000.00
molecular_weight	101290.0 kDa
excluded_volume	126840 Å³
envelope_volume	150860 Å³
shell_volume	42877 Å³
envelope_diameter	96.5 Å
shell_rg	37.08 Å
envelope_rg	28.32 Å
shape_rg	28.14 Å
total_rg	28.96 Å
total_atoms	7113
n_residues	964
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	89.6 Å
rg_real	29.02 Å
rg_real_error	0.64 Å
i0_real	1.6450e+08
i0_real_error	2.4590e+06
rg_reciprocal	29.08 Å
i0_reciprocal	164500000.0000
total_estimate	0.9026
solution_quality	EXCELLENT a EXCELLENT solution
n_peaks	2
r_peak_primary	36.5 Å
skewness	0.168
kurtosis	-0.473
angular_range	— – 0.2700 Å⁻¹
current_alpha	0.0000
highest_alpha	46290000.0000
n_real_points	55
gnom_version	4.1.3
quality_criteria	AN1: 0.000; Oscil: 0.930; Stabil: 0.999; Sysdev: 1.000; Positv: 1.000; Valcen: 0.982; Smooth: 0.962

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4. Crystallography & Experiment

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5. Entities & Polymer Info (3)

Entity 1 polymer

description	SHORT CHAIN 3-HYDROXYACYL-COA DEHYDROGENASE
formula_weight	27272.5 kDa
ec_number	1.1.1.35
src_method	man
entity_count	4

Polymer

type	polypeptide(L)
strand_id	A,B,C,D
atom_count	7605

MAAAVRSVKGLVAVITGGASGLGLSTAKRLVGQGATAVLLDVPNSEGETEAKKLGGNCIFAPANVTSEKEVQAALTLAKEKFGRIDVAVNCAGIAVAIKTYHEKKNQVHTLEDFQRVINVNLIGTFNVIRLVAGVMGQNEPDQGGQRGVIINTASVAAFEGQVGQAAYSASKGGIVGMTLPIARDLAPIGIRVVTIAPGLFATPLLTTLPDKVRNFLASQVPFPSRLGDPAEYAHLVQMVIENPFLNGEVIRLDGAIRMQP

Source

organism	RATTUS NORVEGICUS
common_name	NORWAY RAT
ncbi_taxonomy_id	10116
host_organism	ESCHERICHIA COLI

Entity 2 non-polymer

description	NICOTINAMIDE-ADENINE-DINUCLEOTIDE
formula_weight	663.4 kDa
src_method	syn
entity_count	4

Entity 3 water

description	water
formula_weight	18.0 kDa
src_method	nat
entity_count	492

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6. Citations (1)

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length_a	59.280 Å
length_b	68.960 Å
length_c	69.550 Å
angle_alpha	64.84 °
angle_beta	72.51 °
angle_gamma	74.98 °
z_pdb	4

space_group	P 1
int_tables_number	1
crystal_system	—

resolution	2.000 Å
resolution_low	40.000 Å
r_factor	—
r_work	0.1890
r_free	0.2260

fit	/app/data/saxs_computation/e3/1e3s/1e3s.fit
pddf	/app/data/pr_computation/e3/1e3s/1e3s.pr.out
profile	/app/data/saxs_computation/e3/1e3s/1e3s.dat

Rat brain 3-hydroxyacyl-CoA dehydrogenase binary complex with NADH

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