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1dci

DIENOYL-COA ISOMERASE

Method: X-RAY DIFFRACTION D_max: 86.6 Å Quality: EXCELLENT

SAXS Profile

P(r) Distribution

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1. Structure Basics

entry_id	1dci
deposition_date	1998-02-13
title	DIENOYL-COA ISOMERASE
keywords	LYASE, DIENOYL-COA ISOMERASE; 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	28.59 Å
rg_electron	27.46 Å
i0	142031000.00
molecular_weight	92437.0 kDa
excluded_volume	115160 Å³
envelope_volume	135680 Å³
shell_volume	39408 Å³
envelope_diameter	86.1 Å
shell_rg	36.38 Å
envelope_rg	27.81 Å
shape_rg	27.43 Å
total_rg	28.37 Å
total_atoms	6447
n_residues	825
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	86.6 Å
rg_real	28.47 Å
rg_real_error	0.40 Å
i0_real	1.4200e+08
i0_real_error	1.7890e+06
rg_reciprocal	28.52 Å
i0_reciprocal	142000000.0000
total_estimate	0.9104
solution_quality	EXCELLENT a EXCELLENT solution
n_peaks	1
r_peak_primary	33.1 Å
skewness	0.177
kurtosis	-0.573
angular_range	— – 0.2750 Å⁻¹
current_alpha	0.0000
highest_alpha	35870000.0000
n_real_points	56
gnom_version	4.1.3
quality_criteria	AN1: 0.000; Oscil: 0.958; Stabil: 1.000; Sysdev: 1.000; Positv: 1.000; Valcen: 0.995; Smooth: 0.962

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4. Crystallography & Experiment

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5. Entities & Polymer Info (5)

Entity 1 polymer

description	DIENOYL-COA ISOMERASE
formula_weight	30416.1 kDa
ec_number	4.2.1.17
src_method	man
entity_count	3

Polymer

type	polypeptide(L)
strand_id	A,B,C
atom_count	7528

AYESIQVTSAQKHVLHVQLNRPEKRNAMNRAFWRELVECFQKISKDSDCRAVVVSGAGKMFTSGIDLMDMASDILQPPGDDVARIAWYLRDLISRYQKTFTVIEKCPKPVIAAIHGGCIGGGVDLISACDIRYCTQDAFFQVKEVDVGLAADVGTLQRLPKVIGNRSLVNELTFTARKMMADEALDSGLVSRVFPDKDVMLNAAFALAADISSKSPVAVQGSKINLIYSRDHSVDESLDYMATWNMSMLQTQDIIKSVQAAMEKKDSKSITFSKL

Source

organism	Rattus norvegicus
common_name	Norway rat
ncbi_taxonomy_id	10116
host_organism	Escherichia coli

Entity 2 non-polymer

description	SULFATE ION
formula_weight	96.1 kDa
src_method	syn
entity_count	8

Entity 3 non-polymer

description	MAGNESIUM ION
formula_weight	24.3 kDa
src_method	syn
entity_count	4

Entity 4 non-polymer

description	1,2-ETHANEDIOL
formula_weight	62.1 kDa
src_method	syn
entity_count	7

Entity 5 water

description	water
formula_weight	18.0 kDa
src_method	nat
entity_count	973

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6. Citations (1)

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length_a	131.543 Å
length_b	131.543 Å
length_c	96.731 Å
angle_alpha	90.00 °
angle_beta	90.00 °
angle_gamma	120.00 °
z_pdb	18

space_group	P 31 2 1
int_tables_number	152
crystal_system	—

resolution	1.500 Å
resolution_low	15.000 Å
r_factor	—
r_work	0.1760
r_free	0.2050

fit	/app/data/saxs_computation/dc/1dci/1dci.fit
pddf	/app/data/pr_computation/dc/1dci/1dci.pr.out
profile	/app/data/saxs_computation/dc/1dci/1dci.dat