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1eob

CRYSTAL STRUCTURE OF ACINETOBACTER SP. ADP1 PROTOCATECHUATE 3,4-DIOXYGENASE IN COMPLEX WITH 3,4-DIHYDROXYBENZOATE

Method: X-RAY DIFFRACTION D_max: 73.3 Å Quality: GOOD

SAXS Profile

P(r) Distribution

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1. Structure Basics

entry_id	1eob
deposition_date	2000-03-22
title	CRYSTAL STRUCTURE OF ACINETOBACTER SP. ADP1 PROTOCATECHUATE 3,4-DIOXYGENASE IN COMPLEX WITH 3,4-DIHYDROXYBENZOATE
keywords	beta-sandwich, mixed alpha/beta structure, dioxygenase, biodegradation, OXIDOREDUCTASE; 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	22.61 Å
rg_electron	21.38 Å
i0	42871500.00
molecular_weight	50011.0 kDa
excluded_volume	62256 Å³
envelope_volume	72185 Å³
shell_volume	27194 Å³
envelope_diameter	74.9 Å
shell_rg	29.20 Å
envelope_rg	21.69 Å
shape_rg	21.36 Å
total_rg	22.37 Å
total_atoms	3540
n_residues	440
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	73.3 Å
rg_real	22.48 Å
rg_real_error	0.39 Å
i0_real	4.2870e+07
i0_real_error	6.1330e+05
rg_reciprocal	22.51 Å
i0_reciprocal	42870000.0000
total_estimate	0.8851
solution_quality	GOOD a GOOD solution
n_peaks	2
r_peak_primary	28.9 Å
skewness	0.177
kurtosis	-0.393
angular_range	— – 0.3500 Å⁻¹
current_alpha	0.0000
highest_alpha	12010000.0000
n_real_points	67
gnom_version	4.1.3
quality_criteria	AN1: 0.000; Oscil: 0.840; Stabil: 1.000; Sysdev: 1.000; Positv: 1.000; Valcen: 0.990; Smooth: 0.991

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4. Crystallography & Experiment

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5. Entities & Polymer Info (5)

Entity 1 polymer

description	PROTOCATECHUATE 3,4-DIOXYGENASE ALPHA CHAIN
formula_weight	23508.1 kDa
ec_number	1.13.11.3
src_method	man
entity_count	1

Polymer

type	polypeptide(L)
strand_id	A
atom_count	3732

MNGWNFQELKETPSQTGGPYVHIGLLPKQANIEVFEHNLDNNLVQDNTQGQRIRLEGQVFDGLGLPLRDVLIEIWQADTNGVYPSQADTQGKQVDPNFLGWGRTGADFGTGFWSFNTIKPGAVPGRKGSTQAPHISLIIFARGINIGLHTRVYFDDEAEANAKDPVLNSIEWATRRQTLVAKREERDGEVVYRFDIRIQGENETVFFDI

Source

organism	Acinetobacter sp.
ncbi_taxonomy_id	62977
host_organism	Escherichia coli

Entity 2 polymer

description	PROTOCATECHUATE 3,4-DIOXYGENASE BETA CHAIN
formula_weight	27583.0 kDa
ec_number	1.13.11.3
src_method	man
entity_count	1

Polymer

type	polypeptide(L)
strand_id	B

MSQIIWGAYAQRNTEDHPPAYAPGYKTSVLRSPKNALISIAETLSEVTAPHFSADKFGPKDNDLILNYAKDGLPIGERVIVHGYVRDQFGRPVKNALVEVWQANASGRYRHPNDQYIGAMDPNFGGCGRMLTDDNGYYVFRTIKPGPYPWRNRINEWRPAHIHFSLIADGWAQRLISQFYFEGDTLIDSCPILKTIPSEQQRRALIALEDKSNFIEADSRCYRFDITLRGRRATYFENDLT

Source

organism	Acinetobacter sp.
ncbi_taxonomy_id	62977
host_organism	Escherichia coli

Entity 3 non-polymer

description	FE (III) ION
formula_weight	55.8 kDa
src_method	syn
entity_count	1

Entity 4 non-polymer

description	3,4-DIHYDROXYBENZOIC ACID
formula_weight	154.1 kDa
src_method	syn
entity_count	1

Entity 5 water

description	water
formula_weight	18.0 kDa
src_method	nat
entity_count	192

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6. Citations (5)

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length_a	144.400 Å
length_b	144.400 Å
length_c	144.400 Å
angle_alpha	90.00 °
angle_beta	90.00 °
angle_gamma	90.00 °
z_pdb	24

space_group	I 2 3
int_tables_number	197
crystal_system	—

resolution	2.200 Å
resolution_low	20.000 Å
r_factor	0.1820
r_work	0.1820
r_free	0.2220

fit	/app/data/saxs_computation/eo/1eob/1eob.fit
pddf	/app/data/pr_computation/eo/1eob/1eob.pr.out
profile	/app/data/saxs_computation/eo/1eob/1eob.dat

CRYSTAL STRUCTURE OF ACINETOBACTER SP. ADP1 PROTOCATECHUATE 3,4-DIOXYGENASE IN COMPLEX WITH 3,4-DIHYDROXYBENZOATE

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

5. Entities & Polymer Info (5)

Entity 1 polymer

Polymer

Source

Entity 2 polymer

Polymer

Source

Entity 3 non-polymer

Entity 4 non-polymer

Entity 5 water

6. Citations (5)

7. Files & Curves (10)

Files (7)

Curves (3)