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1aq8

STRUCTURE OF ALCALIGENES FAECALIS NITRITE REDUCTASE REDUCED WITH ASCORBATE

Method: X-RAY DIFFRACTION D_max: 83.2 Å Quality: EXCELLENT

SAXS Profile

P(r) Distribution

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1. Structure Basics

entry_id	1aq8
deposition_date	1997-08-07
title	STRUCTURE OF ALCALIGENES FAECALIS NITRITE REDUCTASE REDUCED WITH ASCORBATE
keywords	OXIDOREDUCTASE, NITRITE, COPPER, DENITRIFICATION; 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	28.41 Å
rg_electron	27.33 Å
i0	180465000.00
molecular_weight	107800.0 kDa
excluded_volume	135040 Å³
envelope_volume	154070 Å³
shell_volume	44157 Å³
envelope_diameter	87.0 Å
shell_rg	36.89 Å
envelope_rg	27.59 Å
shape_rg	27.30 Å
total_rg	28.29 Å
total_atoms	9123
n_residues	993
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	83.2 Å
rg_real	28.17 Å
rg_real_error	0.47 Å
i0_real	1.8050e+08
i0_real_error	2.6250e+06
rg_reciprocal	28.24 Å
i0_reciprocal	180500000.0000
total_estimate	0.9025
solution_quality	EXCELLENT a EXCELLENT solution
n_peaks	2
r_peak_primary	35.7 Å
skewness	0.095
kurtosis	-0.571
angular_range	— – 0.2800 Å⁻¹
current_alpha	0.0000
highest_alpha	63500000.0000
n_real_points	57
gnom_version	4.1.3
quality_criteria	AN1: 0.000; Oscil: 0.964; Stabil: 0.999; Sysdev: 1.000; Positv: 1.000; Valcen: 0.978; Smooth: 0.862

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4. Crystallography & Experiment

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5. Entities & Polymer Info (3)

Entity 1 polymer

description	NITRITE REDUCTASE
formula_weight	37063.9 kDa
ec_number	1.7.99.3
src_method	man
entity_count	3

Polymer

type	polypeptide(L)
strand_id	A,B,C
atom_count	11124

QGAVRKATAAEIAALPRQKVELVDPPFVHAHSQVAEGGPKVVEFTMVIEEKKIVIDDAGTEVHAMAFNGTVPGPLMVVHQDDYLELTLINPETNTLMHNIDFHAATGALGGGGLTEINPGEKTILRFKATKPGVFVYHCAPPGMVPWHVVSGMNGAIMVLPREGLHDGKGKALTYDKIYYVGEQDFYVPRDENGKYKKYEAPGDAYEDTVKVMRTLTPTHVVFNGAVGALTGDKAMTAAVGEKVLIVHSQANRDTRPHLIGGHGDYVWATGKFNTPPDVDQETWFIPGGAAGAAFYTFQQPGIYAYVNHNLIEAFELGAAAHFKVTGEWNDDLMTSVLAPSGT

Source

organism	Alcaligenes faecalis
ncbi_taxonomy_id	511
host_organism	Escherichia coli

Entity 2 non-polymer

description	COPPER (II) ION
formula_weight	63.5 kDa
src_method	syn
entity_count	6

Entity 3 water

description	water
formula_weight	18.0 kDa
src_method	nat
entity_count	667

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6. Citations (3)

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length_a	61.790 Å
length_b	102.400 Å
length_c	146.200 Å
angle_alpha	90.00 °
angle_beta	90.00 °
angle_gamma	90.00 °
z_pdb	12

space_group	P 21 21 21
int_tables_number	19
crystal_system	—

resolution	2.000 Å
resolution_low	10.000 Å
r_factor	0.1890
r_work	0.1890
r_free	—

fit	/app/data/saxs_computation/aq/1aq8/1aq8.fit
pddf	/app/data/pr_computation/aq/1aq8/1aq8.pr.out
profile	/app/data/saxs_computation/aq/1aq8/1aq8.dat

STRUCTURE OF ALCALIGENES FAECALIS NITRITE REDUCTASE REDUCED WITH ASCORBATE

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