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1e6w

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

Method: X-RAY DIFFRACTION D_max: 89.5 Å Quality: GOOD

SAXS Profile

P(r) Distribution

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1. Structure Basics

entry_id	1e6w
deposition_date	2000-08-23
title	Rat brain 3-hydroxyacyl-CoA dehydrogenase binary complex with NADH and estradiol
keywords	DEHYDROGENASE, BETA-OXIDATION OF FATTY ACIDS, STEROIDS, AMYLOID BINDING; DEHYDROGENASE
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	28.86 Å
rg_electron	27.77 Å
i0	178250000.00
molecular_weight	106280.0 kDa
excluded_volume	133390 Å³
envelope_volume	154500 Å³
shell_volume	44013 Å³
envelope_diameter	96.6 Å
shell_rg	37.10 Å
envelope_rg	27.98 Å
shape_rg	27.76 Å
total_rg	28.61 Å
total_atoms	7466
n_residues	1001
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	89.5 Å
rg_real	28.69 Å
rg_real_error	0.37 Å
i0_real	1.7820e+08
i0_real_error	2.3800e+06
rg_reciprocal	28.76 Å
i0_reciprocal	178300000.0000
total_estimate	0.9000
solution_quality	GOOD a GOOD solution
n_peaks	2
r_peak_primary	37.4 Å
skewness	0.145
kurtosis	-0.465
angular_range	— – 0.2750 Å⁻¹
current_alpha	0.0000
highest_alpha	59050000.0000
n_real_points	56
gnom_version	4.1.3
quality_criteria	AN1: 0.000; Oscil: 0.912; Stabil: 1.000; Sysdev: 1.000; Positv: 1.000; Valcen: 0.989; Smooth: 0.970

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4. Crystallography & Experiment

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5. Entities & Polymer Info (4)

Entity 1 polymer

description	SHORT CHAIN 3-HYDROXYACYL-COA DEHYDROGENASE
formula_weight	27141.3 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	8106

AAAVRSVKGLVAVITGGASGLGLSTAKRLVGQGATAVLLDVPNSEGETEAKKLGGNCIFAPANVTSEKEVQAALTLAKEKFGRIDVAVNCAGIAVAIKTYHEKKNQVHTLEDFQRVINVNLIGTFNVIRLVAGVMGQNEPDQGGQRGVIINTASVAAFEGQVGQAAYSASKGGIVGMTLPIARDLAPIGIRVVTIAPGLFATPLLTTLPDKVRNFLASQVPFPSRLGDPAEYAHLVQMVIENPFLNGEVIRLDGAIRMQP

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 non-polymer

description	ESTRADIOL
formula_weight	272.4 kDa
src_method	syn
entity_count	1

Entity 4 water

description	water
formula_weight	18.0 kDa
src_method	nat
entity_count	545

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6. Citations (1)

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length_a	57.603 Å
length_b	67.426 Å
length_c	67.500 Å
angle_alpha	65.22 °
angle_beta	73.27 °
angle_gamma	75.67 °
z_pdb	4

space_group	P 1
int_tables_number	1
crystal_system	—

resolution	1.700 Å
resolution_low	30.000 Å
r_factor	—
r_work	0.1840
r_free	0.2290

fit	/app/data/saxs_computation/e6/1e6w/1e6w.fit
pddf	/app/data/pr_computation/e6/1e6w/1e6w.pr.out
profile	/app/data/saxs_computation/e6/1e6w/1e6w.dat

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

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