DETHIOBIOTIN SYNTHETASE COMPLEXED WITH 7-(CARBOXYAMINO)-8-AMINO-NONANOIC ACID

Method: X-RAY DIFFRACTION D_max: 59.0 Å Quality: GOOD

SAXS Profile

P(r) Distribution

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1. Structure Basics

entry_id	1dai
deposition_date	1995-05-08
title	DETHIOBIOTIN SYNTHETASE COMPLEXED WITH 7-(CARBOXYAMINO)-8-AMINO-NONANOIC 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	18.14 Å
rg_electron	16.93 Å
i0	9788570.00
molecular_weight	23655.0 kDa
excluded_volume	29872 Å³
envelope_volume	34183 Å³
shell_volume	16888 Å³
envelope_diameter	58.2 Å
shell_rg	23.11 Å
envelope_rg	17.23 Å
shape_rg	16.91 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	59.0 Å
rg_real	18.02 Å
rg_real_error	0.27 Å
i0_real	9.7890e+06
i0_real_error	1.1070e+05
rg_reciprocal	18.03 Å
i0_reciprocal	9789000.0000
total_estimate	0.8863
solution_quality	GOOD a GOOD solution
n_peaks	2
r_peak_primary	23.9 Å
skewness	0.164
kurtosis	-0.375
angular_range	— – 0.4400 Å⁻¹
current_alpha	0.0000
highest_alpha	2715000.0000
n_real_points	75
gnom_version	4.1.3
quality_criteria	AN1: 0.000; Oscil: 0.843; Stabil: 1.000; Sysdev: 1.000; Positv: 1.000; Valcen: 0.996; Smooth: 0.993

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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	1.640 Å
resolution_low	6.000 Å
r_factor	0.1740
r_work	0.1740
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	1802

DETHIOBIOTIN SYNTHETASE COMPLEXED WITH 7-(CARBOXYAMINO)-8-AMINO-NONANOIC 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	7-(CARBOXYAMINO)-8-AMINO-NONANOIC ACID
formula_weight	232.3 kDa
src_method	syn
entity_count	1

description	water
formula_weight	18.0 kDa
src_method	nat
entity_count	135

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