CRYSTAL STRUCTURE OF AN ATP DEPENDENT CARBOXYLASE, DETHIOBIOTIN SYNTHASE, AT 1.65 ANGSTROMS RESOLUTION

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	1dts
deposition_date	1995-03-28
title	CRYSTAL STRUCTURE OF AN ATP DEPENDENT CARBOXYLASE, DETHIOBIOTIN SYNTHASE, AT 1.65 ANGSTROMS RESOLUTION
keywords	CYCLO-LIGASE; CYCLO-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	16.92 Å
i0	9778900.00
molecular_weight	23551.0 kDa
excluded_volume	29707 Å³
envelope_volume	33956 Å³
shell_volume	16783 Å³
envelope_diameter	57.7 Å
shell_rg	23.13 Å
envelope_rg	17.23 Å
shape_rg	16.91 Å
total_rg	18.02 Å
total_atoms	1660
n_residues	220
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	0.33 Å
i0_real	9.7790e+06
i0_real_error	1.2850e+05
rg_reciprocal	18.03 Å
i0_reciprocal	9779000.0000
total_estimate	0.8871
solution_quality	GOOD a GOOD solution
n_peaks	2
r_peak_primary	23.9 Å
skewness	0.159
kurtosis	-0.380
angular_range	— – 0.4400 Å⁻¹
current_alpha	0.0000
highest_alpha	2684000.0000
n_real_points	75
gnom_version	4.1.3
quality_criteria	AN1: 0.000; Oscil: 0.844; Stabil: 1.000; Sysdev: 1.000; Positv: 1.000; Valcen: 0.996; Smooth: 0.999

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4. Crystallography & Experiment

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5. Entities & Polymer Info (2)

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6. Citations (1)

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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	1.650 Å
resolution_low	5.500 Å
r_factor	0.1690
r_work	0.1690
r_free	0.2300

description	DETHIOBIOTIN SYNTHETASE
formula_weight	23705.1 kDa
ec_number	6.3.3.3
src_method	man
entity_count	1

type	polypeptide(L)
strand_id	A
atom_count	1871

CRYSTAL STRUCTURE OF AN ATP DEPENDENT CARBOXYLASE, DETHIOBIOTIN SYNTHASE, AT 1.65 ANGSTROMS RESOLUTION

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 (2)

Entity 1 polymer

Polymer

Source

Entity 2 water

6. Citations (1)

7. Files & Curves (10)

Files (7)

Curves (3)

description	water
formula_weight	18.0 kDa
src_method	nat
entity_count	189

fit	/app/data/saxs_computation/dt/1dts/1dts.fit
pddf	/app/data/pr_computation/dt/1dts/1dts.pr.out
profile	/app/data/saxs_computation/dt/1dts/1dts.dat

organism	Escherichia coli
ncbi_taxonomy_id	562