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1eo9

CRYSTAL STRUCTURE OF ACINETOBACTER SP. ADP1 PROTOCATECHUATE 3,4-DIOXYGENASE AT PH < 7.0

Method: X-RAY DIFFRACTION D_max: 72.6 Å Quality: REASONABLE

SAXS Profile

P(r) Distribution

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1. Structure Basics

entry_id	1eo9
deposition_date	2000-03-22
title	CRYSTAL STRUCTURE OF ACINETOBACTER SP. ADP1 PROTOCATECHUATE 3,4-DIOXYGENASE AT PH < 7.0
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	22.71 Å
rg_electron	21.49 Å
i0	43109700.00
molecular_weight	49983.0 kDa
excluded_volume	62166 Å³
envelope_volume	72981 Å³
shell_volume	27382 Å³
envelope_diameter	75.5 Å
shell_rg	29.25 Å
envelope_rg	21.77 Å
shape_rg	21.47 Å
total_rg	22.46 Å
total_atoms	3536
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	72.6 Å
rg_real	22.57 Å
rg_real_error	0.36 Å
i0_real	4.3110e+07
i0_real_error	5.3970e+05
rg_reciprocal	22.61 Å
i0_reciprocal	43110000.0000
total_estimate	0.6876
solution_quality	REASONABLE a REASONABLE solution
n_peaks	2
r_peak_primary	28.6 Å
skewness	0.174
kurtosis	-0.398
angular_range	— – 0.3500 Å⁻¹
current_alpha	0.0000
highest_alpha	11680000.0000
n_real_points	67
gnom_version	4.1.3
quality_criteria	AN1: 0.000; Oscil: 0.862; Stabil: 1.000; Sysdev: 0.130; Positv: 1.000; Valcen: 0.988; Smooth: 0.972

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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	23538.1 kDa
ec_number	1.13.11.3
src_method	man
entity_count	1

Polymer

type	polypeptide(L)
strand_id	A
atom_count	3714

MNGWNFQELKETPSQTGGPYVHIGLLPKQANIEVFEHNLDNNLVQDNTQGQRIRLEGQVFDGLSLPLRDVLIEIWQADTNGVYPSQADTQGKQVDPNFLGWGRTGADFGTGFWSFNTIKPGAVPGRKGSTQAPHISLIIFARGINIGLHTRVYFDDEAEANAKDPVLNSIEWATRRQTLVAKREERDGEVVYRFDIRIQGENETVFFDI

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	SULFATE ION
formula_weight	96.1 kDa
src_method	syn
entity_count	1

Entity 5 water

description	water
formula_weight	18.0 kDa
src_method	nat
entity_count	178

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6. Citations (5)

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length_a	145.060 Å
length_b	145.060 Å
length_c	145.060 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	2.000 Å
resolution_low	20.000 Å
r_factor	0.1790
r_work	0.1790
r_free	0.2100

fit	/app/data/saxs_computation/eo/1eo9/1eo9.fit
pddf	/app/data/pr_computation/eo/1eo9/1eo9.pr.out
profile	/app/data/saxs_computation/eo/1eo9/1eo9.dat

CRYSTAL STRUCTURE OF ACINETOBACTER SP. ADP1 PROTOCATECHUATE 3,4-DIOXYGENASE AT PH < 7.0

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)