DETHIOBIOTIN SYNTHETASE COMPLEXED WITH 3-(1-AMINOETHYL) NONANEDIOIC ACID

Method: X-RAY DIFFRACTION D_max: 56.9 Å Quality: REASONABLE

SAXS Profile

P(r) Distribution

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1. Structure Basics

entry_id	1dae
deposition_date	1995-05-08
title	DETHIOBIOTIN SYNTHETASE COMPLEXED WITH 3-(1-AMINOETHYL) NONANEDIOIC ACID
keywords	LIGASE, BIOTIN BIOSYNTHESIS, MAGNESIUM, ATP-BINDING; LIGASE
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	18.16 Å
rg_electron	16.94 Å
i0	9734800.00
molecular_weight	23654.0 kDa
excluded_volume	29891 Å³
envelope_volume	34320 Å³
shell_volume	16949 Å³
envelope_diameter	58.3 Å
shell_rg	23.10 Å
envelope_rg	17.23 Å
shape_rg	16.92 Å
total_rg	18.02 Å
total_atoms	1667
n_residues	219
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	56.9 Å
rg_real	18.23 Å
rg_real_error	0.11 Å
i0_real	9.5110e+06
i0_real_error	8.5630e+04
rg_reciprocal	18.05 Å
i0_reciprocal	9735000.0000
total_estimate	0.6943
solution_quality	REASONABLE a REASONABLE solution
n_peaks	1
r_peak_primary	23.1 Å
skewness	0.228
kurtosis	-0.267
angular_range	— – 0.4400 Å⁻¹
current_alpha	8.8950
highest_alpha	2642000.0000
n_real_points	75
gnom_version	4.1.3
quality_criteria	AN1: 0.000; Oscil: 0.909; Stabil: 0.929; Sysdev: 0.000; Positv: 1.000; Valcen: 0.991; Smooth: 0.544

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4. Crystallography & Experiment

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5. Entities & Polymer Info (3)

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6. Citations (2)

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length_a	73.200 Å
length_b	49.200 Å
length_c	61.800 Å
angle_alpha	90.00 °
angle_beta	107.10 °
angle_gamma	90.00 °
z_pdb	4

space_group	C 1 2 1
int_tables_number	5
crystal_system	—

resolution	1.700 Å
resolution_low	6.000 Å
r_factor	0.1780
r_work	0.1780
r_free	—

description	DETHIOBIOTIN SYNTHETASE
formula_weight	24028.3 kDa
ec_number	6.3.3.3
src_method	man
entity_count	1

type	polypeptide(L)
strand_id	A
atom_count	1834

DETHIOBIOTIN SYNTHETASE COMPLEXED WITH 3-(1-AMINOETHYL) NONANEDIOIC ACID

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

5. Entities & Polymer Info (3)

Entity 1 polymer

Polymer

Source

Entity 2 non-polymer

Entity 3 water

6. Citations (2)

7. Files & Curves (10)

Files (7)

Curves (3)

organism	Escherichia coli
ncbi_taxonomy_id	562
host_organism	Escherichia coli

description	3-(1-AMINOETHYL)NONANEDIOIC ACID
formula_weight	231.3 kDa
src_method	syn
entity_count	1

description	water
formula_weight	18.0 kDa
src_method	nat
entity_count	167

fit	/app/data/saxs_computation/da/1dae/1dae.fit
pddf	/app/data/pr_computation/da/1dae/1dae.pr.out
profile	/app/data/saxs_computation/da/1dae/1dae.dat