NITRITE REDUCTASE FROM ALCALIGENES XYLOSOXIDANS GIFU 1051

Method: X-RAY DIFFRACTION D_max: 83.8 Å Quality: GOOD

SAXS Profile

P(r) Distribution

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1. Structure Basics

entry_id	1bq5
deposition_date	1998-08-21
title	NITRITE REDUCTASE FROM ALCALIGENES XYLOSOXIDANS GIFU 1051
keywords	OXIDOREDUCTASE, NITRITE REDUCTASE, CUPROPROTEIN; 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	21.67 Å
rg_electron	20.91 Å
i0	22626300.00
molecular_weight	36190.0 kDa
excluded_volume	45247 Å³
envelope_volume	55187 Å³
shell_volume	22050 Å³
envelope_diameter	86.1 Å
shell_rg	27.73 Å
envelope_rg	22.07 Å
shape_rg	20.89 Å
total_rg	21.89 Å
total_atoms	2546
n_residues	333
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	83.8 Å
rg_real	21.68 Å
rg_real_error	0.84 Å
i0_real	2.2630e+07
i0_real_error	3.2950e+05
rg_reciprocal	21.68 Å
i0_reciprocal	22630000.0000
total_estimate	0.7953
solution_quality	GOOD a GOOD solution
n_peaks	2
r_peak_primary	25.0 Å
skewness	0.428
kurtosis	-0.022
angular_range	— – 0.3650 Å⁻¹
current_alpha	0.0000
highest_alpha	5959000.0000
n_real_points	68
gnom_version	4.1.3
quality_criteria	AN1: 0.000; Oscil: 0.526; Stabil: 1.000; Sysdev: 1.000; Positv: 1.000; Valcen: 0.758; Smooth: 0.998

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4. Crystallography & Experiment

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5. Entities & Polymer Info (3)

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6. Citations (1)

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length_a	106.565 Å
length_b	106.565 Å
length_c	63.578 Å
angle_alpha	90.00 °
angle_beta	90.00 °
angle_gamma	120.00 °
z_pdb	6

space_group	P 63
int_tables_number	173
crystal_system	—

resolution	2.050 Å
resolution_low	10.000 Å
r_factor	—
r_work	0.1800
r_free	0.2260

description	NITRITE REDUCTASE
formula_weight	37129.1 kDa
src_method	nat
entity_count	1

type	polypeptide(L)
strand_id	A
atom_count	2657

NITRITE REDUCTASE FROM ALCALIGENES XYLOSOXIDANS GIFU 1051

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 (3)

Entity 1 polymer

Polymer

Entity 2 non-polymer

Entity 3 water

6. Citations (1)

7. Files & Curves (10)

Files (7)

Curves (3)

description	COPPER (II) ION
formula_weight	63.5 kDa
src_method	syn
entity_count	2

description	water
formula_weight	18.0 kDa
src_method	nat
entity_count	111

fit	/app/data/saxs_computation/bq/1bq5/1bq5.fit
pddf	/app/data/pr_computation/bq/1bq5/1bq5.pr.out
profile	/app/data/saxs_computation/bq/1bq5/1bq5.dat