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1eg9

NAPHTHALENE 1,2-DIOXYGENASE WITH INDOLE BOUND IN THE ACTIVE SITE.

Method: X-RAY DIFFRACTION D_max: 84.4 Å Quality: EXCELLENT

SAXS Profile

P(r) Distribution

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1. Structure Basics

entry_id	1eg9
deposition_date	2000-02-15
title	NAPHTHALENE 1,2-DIOXYGENASE WITH INDOLE BOUND IN THE ACTIVE SITE.
keywords	NON-HEME IRON DIOXYGENASE, ENZYME-SUBSTRATE COMPLEX, 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	27.21 Å
rg_electron	26.15 Å
i0	91001300.00
molecular_weight	72747.0 kDa
excluded_volume	89988 Å³
envelope_volume	108940 Å³
shell_volume	34176 Å³
envelope_diameter	87.5 Å
shell_rg	33.96 Å
envelope_rg	26.61 Å
shape_rg	26.11 Å
total_rg	27.04 Å
total_atoms	5117
n_residues	640
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	84.4 Å
rg_real	27.12 Å
rg_real_error	0.51 Å
i0_real	9.1000e+07
i0_real_error	1.4290e+06
rg_reciprocal	27.15 Å
i0_reciprocal	91000000.0000
total_estimate	0.9043
solution_quality	EXCELLENT a EXCELLENT solution
n_peaks	2
r_peak_primary	33.5 Å
skewness	0.252
kurtosis	-0.429
angular_range	— – 0.2900 Å⁻¹
current_alpha	0.0000
highest_alpha	16890000.0000
n_real_points	59
gnom_version	4.1.3
quality_criteria	AN1: 0.000; Oscil: 0.943; Stabil: 1.000; Sysdev: 1.000; Positv: 1.000; Valcen: 0.997; Smooth: 0.927

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4. Crystallography & Experiment

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5. Entities & Polymer Info (7)

Entity 1 polymer

description	PROTEIN (NAPHTHALENE 1,2-DIOXYGENASE ALPHA SUBUNIT)
formula_weight	49664.4 kDa
ec_number	1.14.12.12
src_method	man
entity_count	1

Polymer

type	polypeptide(L)
strand_id	A
atom_count	5729

MNYNNKILVSESGLSQKHLIHGDEELFQHELKTIFARNWLFLTHDSLIPAPGDYVTAKMGIDEVIVSRQNDGSIRAFLNVCRHRGKTLVSVEAGNAKGFVCSYHGWGFGSNGELQSVPFEKDLYGESLNKKCLGLKEVARVESFHGFIYGCFDQEAPPLMDYLGDAAWYLEPMFKHSGGLELVGPPGKVVIKANWKAPAENFVGDAYHVGWTHASSLRSGESIFSSLAGNAALPPEGAGLQMTSKYGSGMGVLWDGYSGVHSADLVPELMAFGGAKQERLNKEIGDVRARIYRSHLNCTVFPNNSMLTCSGVFKVWNPIDANTTEVWTYAIVEKDMPEDLKRRLADSVQRTFGPAGFWESDDNDNMETASQNGKKYQSRDSDLLSNLGFGEDVYGDAVYPGVVGKSAIGETSYRGFYRAYQAHVSSSNWAEFEHASSTWHTELTKTTDR

Source

organism	Pseudomonas putida
ncbi_taxonomy_id	303
host_organism	Escherichia coli

Entity 2 polymer

description	PROTEIN (NAPHTHALENE 1,2-DIOXYGENASE BETA SUBUNIT)
formula_weight	22969.1 kDa
ec_number	1.14.12.12
src_method	man
entity_count	1

Polymer

type	polypeptide(L)
strand_id	B

MMINIQEDKLVSAHDAEEILRFFNCHDSALQQEATTLLTQEAHLLDIQAYRAWLEHCVGSEVQYQVISRELRAASERRYKLNEAMNVYNENFQQLKVRVEHQLDPQNWGNSPKLRFTRFITNVQAAMDVNDKELLHIRSNVILHRARRGNQVDVFYAAREDKWKRGEGGVRKLVQRFVDYPERILQTHNLMVFL

Source

organism	Pseudomonas putida
ncbi_taxonomy_id	303
host_organism	Escherichia coli

Entity 3 non-polymer

description	SULFATE ION
formula_weight	96.1 kDa
src_method	syn
entity_count	3

Entity 4 non-polymer

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

Entity 5 non-polymer

description	FE2/S2 (INORGANIC) CLUSTER
formula_weight	175.8 kDa
src_method	syn
entity_count	1

Entity 6 non-polymer

description	INDOLE
formula_weight	117.1 kDa
src_method	syn
entity_count	1

Entity 7 water

description	water
formula_weight	18.0 kDa
src_method	nat
entity_count	612

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6. Citations (1)

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length_a	140.169 Å
length_b	140.169 Å
length_c	209.248 Å
angle_alpha	90.00 °
angle_beta	90.00 °
angle_gamma	120.00 °
z_pdb	18

space_group	H 3 2
int_tables_number	155
crystal_system	—

resolution	1.600 Å
resolution_low	20.000 Å
r_factor	0.1930
r_work	0.1900
r_free	0.2200

fit	/app/data/saxs_computation/eg/1eg9/1eg9.fit
pddf	/app/data/pr_computation/eg/1eg9/1eg9.pr.out
profile	/app/data/saxs_computation/eg/1eg9/1eg9.dat

NAPHTHALENE 1,2-DIOXYGENASE WITH INDOLE BOUND IN THE ACTIVE SITE.

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 (7)

Entity 1 polymer

Polymer

Source

Entity 2 polymer

Polymer

Source

Entity 3 non-polymer

Entity 4 non-polymer

Entity 5 non-polymer

Entity 6 non-polymer

Entity 7 water

6. Citations (1)

7. Files & Curves (10)

Files (7)

Curves (3)