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1ey3

STRUCTURE OF ENOYL-COA HYDRATASE COMPLEXED WITH THE SUBSTRATE DAC-COA

Method: X-RAY DIFFRACTION D_max: 98.3 Å Quality: EXCELLENT

SAXS Profile

P(r) Distribution

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1. Structure Basics

entry_id	1ey3
deposition_date	2000-05-05
title	STRUCTURE OF ENOYL-COA HYDRATASE COMPLEXED WITH THE SUBSTRATE DAC-COA
keywords	BETA-OXIDATION, CROTONASE, ENOYL-COA HYDRATASE, FATTY ACID METABOLISM, BETA-ELIMINATION, SYN-ADDITION, CONCERTED REACTION, LYASE; LYASE
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	33.37 Å
rg_electron	32.17 Å
i0	476235000.00
molecular_weight	173910.0 kDa
excluded_volume	217030 Å³
envelope_volume	262440 Å³
shell_volume	62890 Å³
envelope_diameter	100.0 Å
shell_rg	42.49 Å
envelope_rg	32.00 Å
shape_rg	32.17 Å
total_rg	32.92 Å
total_atoms	12156
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	98.3 Å
rg_real	33.11 Å
rg_real_error	0.50 Å
i0_real	4.7620e+08
i0_real_error	7.2430e+06
rg_reciprocal	33.27 Å
i0_reciprocal	476300000.0000
total_estimate	0.9005
solution_quality	EXCELLENT a EXCELLENT solution
n_peaks	2
r_peak_primary	46.0 Å
skewness	-0.012
kurtosis	-0.580
angular_range	— – 0.2350 Å⁻¹
current_alpha	0.0000
highest_alpha	172800000.0000
n_real_points	48
gnom_version	4.1.3
quality_criteria	AN1: 0.000; Oscil: 0.929; Stabil: 0.999; Sysdev: 1.000; Positv: 1.000; Valcen: 0.956; Smooth: 0.962

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4. Crystallography & Experiment

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5. Entities & Polymer Info (3)

Entity 1 polymer

description	ENOYL-COA HYDRATASE
formula_weight	28079.3 kDa
ec_number	4.2.1.17
src_method	man
entity_count	6

Polymer

type	polypeptide(L)
strand_id	A,B,C,D,E,F
atom_count	12642

FQYIITEKKGKNSSVGLIQLNRPKALNALCNGLIEELNQALETFEEDPAVGAIVLTGGEKAFAAGADIKEMQNRTFQDCYSGKFLSHWDHITRIKKPVIAAVNGYALGGGCELAMMCDIIYAGEKAQFGQPEILLGTIPGAGGTQRLTRAVGKSLAMEMVLTGDRISAQDAKQAGLVSKIFPVETLVEEAIQCAEKIANNSKIIVAMAKESVNAAFEMTLTEGNKLEKKLFYSTFATDDRREGMSAFVEKRKANFKDH

Source

organism	Rattus norvegicus
common_name	Norway rat
ncbi_taxonomy_id	10116
host_organism	Escherichia coli

Entity 2 non-polymer

description	4-(N,N-DIMETHYLAMINO)CINNAMOYL-COA
formula_weight	940.7 kDa
src_method	syn
entity_count	6

Entity 3 water

description	water
formula_weight	18.0 kDa
src_method	nat
entity_count	486

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6. Citations (1)

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length_a	141.748 Å
length_b	145.286 Å
length_c	78.562 Å
angle_alpha	90.00 °
angle_beta	90.00 °
angle_gamma	90.00 °
z_pdb	24

space_group	P 21 21 21
int_tables_number	19
crystal_system	—

resolution	2.300 Å
resolution_low	35.000 Å
r_factor	0.1840
r_work	0.1810
r_free	0.2200

fit	/app/data/saxs_computation/ey/1ey3/1ey3.fit
pddf	/app/data/pr_computation/ey/1ey3/1ey3.pr.out
profile	/app/data/saxs_computation/ey/1ey3/1ey3.dat

STRUCTURE OF ENOYL-COA HYDRATASE COMPLEXED WITH THE SUBSTRATE DAC-COA

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