← Back to search

1a82

DETHIOBIOTIN SYNTHETASE FROM ESCHERICHIA COLI, COMPLEX WITH SUBSTRATES ATP AND DIAMINOPELARGONIC ACID

Method: X-RAY DIFFRACTION D_max: 57.9 Å Quality: GOOD

SAXS Profile

P(r) Distribution

▼

1. Structure Basics

entry_id	1a82
deposition_date	1998-03-31
title	DETHIOBIOTIN SYNTHETASE FROM ESCHERICHIA COLI, COMPLEX WITH SUBSTRATES ATP AND DIAMINOPELARGONIC ACID
keywords	PHOSPHORYL TRANSFER, BIOTIN BIOSYNTHESIS, LIGASE; BIOTIN BIOSYNTHESIS
method	X-RAY DIFFRACTION

▼

Download Data

SAXS curve (.dat) P(r) distribution (.pr.out) Structure (CIF)

▼

2. SAXS Parameters (CRYSOL)

rg_guinier	17.75 Å
rg_electron	16.68 Å
i0	11160800.00
molecular_weight	24724.0 kDa
excluded_volume	30910 Å³
envelope_volume	34675 Å³
shell_volume	17182 Å³
envelope_diameter	57.5 Å
shell_rg	23.16 Å
envelope_rg	17.09 Å
shape_rg	16.67 Å
total_rg	17.72 Å
total_atoms	1737
n_residues	224
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

▼

3. P(r) Analysis (GNOM)

dmax	57.9 Å
rg_real	17.64 Å
rg_real_error	0.33 Å
i0_real	1.1160e+07
i0_real_error	1.4620e+05
rg_reciprocal	17.65 Å
i0_reciprocal	11160000.0000
total_estimate	0.8051
solution_quality	GOOD a GOOD solution
n_peaks	2
r_peak_primary	23.1 Å
skewness	0.180
kurtosis	-0.319
angular_range	— – 0.4500 Å⁻¹
current_alpha	0.0000
highest_alpha	2539000.0000
n_real_points	76
gnom_version	4.1.3
quality_criteria	AN1: 0.000; Oscil: 0.821; Stabil: 1.000; Sysdev: 1.000; Positv: 1.000; Valcen: 1.000; Smooth: 0.000

▶

4. Crystallography & Experiment

▶

5. Entities & Polymer Info (5)

Entity 1 polymer

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

Polymer

type	polypeptide(L)
strand_id	A
atom_count	1956

SKRYFVTGTDTEVGKTVASCALLQAAKAAGYRTAGYKPVASGSEKTPEGLRNSDALALQRNSSLQLDYATVNPYTFAEPTSPHIISAQEGRPIESLVMSAGLRALEQQADWVLVEGAGGWFTPLSDTFTFADWVTQEQLPVILVVGVKLGCINHAMLTAQVIQHAGLTLAGWVANDVTPPGKRHAEYMTTLTRMIPAPLLGEIPWLAENPENAATGKYINLALL

Source

organism	Escherichia coli
ncbi_taxonomy_id	562
host_organism	Escherichia coli

Entity 2 non-polymer

description	MAGNESIUM ION
formula_weight	24.3 kDa
src_method	syn
entity_count	1

Entity 3 non-polymer

description	7,8-DIAMINO-NONANOIC ACID
formula_weight	188.3 kDa
src_method	syn
entity_count	1

Entity 4 non-polymer

description	ADENOSINE-5'-TRIPHOSPHATE
formula_weight	507.2 kDa
src_method	syn
entity_count	1

Entity 5 water

description	water
formula_weight	18.0 kDa
src_method	nat
entity_count	219

▶

6. Citations (1)

▶

length_a	72.900 Å
length_b	47.900 Å
length_c	60.900 Å
angle_alpha	90.00 °
angle_beta	106.50 °
angle_gamma	90.00 °
z_pdb	4

space_group	C 1 2 1
int_tables_number	5
crystal_system	—

resolution	1.800 Å
resolution_low	20.000 Å
r_factor	0.1900
r_work	0.1900
r_free	0.2460

fit	/app/data/saxs_computation/a8/1a82/1a82.fit
pddf	/app/data/pr_computation/a8/1a82/1a82.pr.out
profile	/app/data/saxs_computation/a8/1a82/1a82.dat