Crystal structure of CoA transferase from Thermus thermophilus

Method: X-RAY DIFFRACTION D_max: 157.4 Å Quality: GOOD

SAXS Profile

P(r) Distribution

▼

1. Structure Basics

entry_id	9vag
deposition_date	2025-06-03
last_revision	2026-06-10
title	Crystal structure of CoA transferase from Thermus thermophilus
keywords	CoA transferase, TRANSFERASE; TRANSFERASE
method	X-RAY DIFFRACTION

▼

Download Data

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

▼

2. SAXS Parameters (CRYSOL)

rg_guinier	50.34 Å
rg_electron	49.81 Å
i0	1834920000.00
molecular_weight	364020.0 kDa
excluded_volume	458240 Å³
envelope_volume	602880 Å³
shell_volume	97179 Å³
envelope_diameter	157.8 Å
shell_rg	57.30 Å
envelope_rg	48.56 Å
shape_rg	49.82 Å
total_rg	50.02 Å
total_atoms	25689
n_residues	3383
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	157.4 Å
rg_real	50.11 Å
rg_real_error	1.10 Å
i0_real	1.8350e+09
i0_real_error	3.7150e+07
rg_reciprocal	50.51 Å
i0_reciprocal	1836000000.0000
total_estimate	0.8915
solution_quality	GOOD a GOOD solution
n_peaks	1
r_peak_primary	71.1 Å
skewness	0.032
kurtosis	-0.591
angular_range	— – 0.1550 Å⁻¹
current_alpha	0.0000
highest_alpha	154500000.0000
n_real_points	32
gnom_version	4.1.3
quality_criteria	AN1: 0.000; Oscil: 0.923; Stabil: 1.000; Sysdev: 1.000; Positv: 1.000; Valcen: 0.982; Smooth: 0.836

▶

4. Crystallography & Experiment

▶

5. Entities & Polymer Info (2)

▶

6. Citations (1)

▶

length_a	146.342 Å
length_b	147.380 Å
length_c	171.101 Å
angle_alpha	90.00 °
angle_beta	90.00 °
angle_gamma	90.00 °
z_pdb	32

space_group	P 21 21 21
int_tables_number	19
crystal_system	—

resolution	2.630 Å
resolution_low	47.260 Å
r_factor	0.2859
r_work	0.2826
r_free	0.3471

description	4-hydroxybutyrate coenzyme A transferase
formula_weight	49301.6 kDa
src_method	man
entity_count	8

type	polypeptide(L)
strand_id	F,H,A,B,C,D,E,G
atom_count	25802

Crystal structure of CoA transferase from Thermus thermophilus

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 (2)

Entity 1 polymer

Polymer

Source

Entity 2 water

6. Citations (1)

7. Files & Curves (10)

Files (7)

Curves (3)

organism	Thermus thermophilus HB27
ncbi_taxonomy_id	262724
host_organism	Escherichia coli BL21(DE3)

description	water
formula_weight	18.0 kDa
src_method	nat
entity_count	56

fit	/app/data/saxs_computation/va/9vag/9vag.fit
pddf	/app/data/pr_computation/va/9vag/9vag.pr.out
profile	/app/data/saxs_computation/va/9vag/9vag.dat