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9rgq

Crystal Structure of Rattus norvegicus Enoyl-CoA Hydratase in unliganded form

Method: X-RAY DIFFRACTION D_max: 87.6 Å Quality: GOOD

SAXS Profile

P(r) Distribution

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1. Structure Basics

entry_id	9rgq
deposition_date	2025-06-07
last_revision	2026-05-13
title	Crystal Structure of Rattus norvegicus Enoyl-CoA Hydratase in unliganded form
keywords	crotonase, hydratase, beta-oxidation, 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	26.53 Å
rg_electron	25.89 Å
i0	56010600.00
molecular_weight	56941.0 kDa
excluded_volume	70974 Å³
envelope_volume	94317 Å³
shell_volume	30462 Å³
envelope_diameter	91.5 Å
shell_rg	33.05 Å
envelope_rg	25.45 Å
shape_rg	25.90 Å
total_rg	26.67 Å
total_atoms	3980
n_residues	520
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	87.6 Å
rg_real	26.41 Å
rg_real_error	0.69 Å
i0_real	5.6010e+07
i0_real_error	8.1190e+05
rg_reciprocal	26.45 Å
i0_reciprocal	56010000.0000
total_estimate	0.8924
solution_quality	GOOD a GOOD solution
n_peaks	1
r_peak_primary	86.2 Å
skewness	0.190
kurtosis	-0.447
angular_range	— – 0.3000 Å⁻¹
current_alpha	0.0000
highest_alpha	6542000.0000
n_real_points	61
gnom_version	4.1.3
quality_criteria	AN1: 0.000; Oscil: 0.869; Stabil: 1.000; Sysdev: 1.000; Positv: 1.000; Valcen: 1.000; Smooth: 0.991

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4. Crystallography & Experiment

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5. Entities & Polymer Info (3)

Entity 1 polymer

description	Enoyl-CoA hydratase, mitochondrial
formula_weight	31555.4 kDa
ec_number	4.2.1.17,5.3.3.8
src_method	man
entity_count	2

Polymer

type	polypeptide(L)
strand_id	A,B
atom_count	4091

MAALRALLPRACNSLLSPVRCPEFRRFASGANFQYIITEKKGKNSSVGLIQLNRPKALNALCNGLIEELNQALETFEEDPAVGAIVLTGGEKAFAAGADIKEMQNRTFQDCYSGKFLSHWDHITRIKKPVIAAVNGYALGGGCELAMMCDIIYAGEKAQFGQPEILLGTIPGAGGTQRLTRAVGKSLAMEMVLTGDRISAQDAKQAGLVSKIFPVETLVEEAIQCAEKIANNSKIIVAMAKESVNAAFEMTLTEGNKLEKKLFYSTFATDDRREGMSAFVEKRKANFKDH

Source

organism	Rattus norvegicus
common_name	Norway rat
ncbi_taxonomy_id	10116
host_organism	Escherichia coli BL21(DE3)

Entity 2 non-polymer

description	PHOSPHATE ION
formula_weight	95.0 kDa
src_method	syn
entity_count	6

Entity 3 water

description	water
formula_weight	18.0 kDa
src_method	nat
entity_count	111

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6. Citations (1)

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length_a	77.397 Å
length_b	77.397 Å
length_c	217.287 Å
angle_alpha	90.00 °
angle_beta	90.00 °
angle_gamma	120.00 °
z_pdb	18

space_group	H 3
int_tables_number	146
crystal_system	trigonal

resolution	2.000 Å
resolution_low	36.460 Å
r_factor	0.1998
r_work	0.1977
r_free	0.2441

fit	/app/data/saxs_computation/rg/9rgq/9rgq.fit
pddf	/app/data/pr_computation/rg/9rgq/9rgq.pr.out
profile	/app/data/saxs_computation/rg/9rgq/9rgq.dat

Crystal Structure of Rattus norvegicus Enoyl-CoA Hydratase in unliganded form

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