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9wts

Structure of the EpHTT from Echinacea purpurea

Method: X-RAY DIFFRACTION D_max: 109.0 Å Quality: GOOD

SAXS Profile

P(r) Distribution

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1. Structure Basics

entry_id	9wts
deposition_date	2025-09-16
title	Structure of the EpHTT from Echinacea purpurea
keywords	hydroxycinnamoyl-CoA:tartaric acid hydroxycinnamoyl transferase, TRANSFERASE; TRANSFERASE
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	33.62 Å
rg_electron	32.78 Å
i0	136198000.00
molecular_weight	95391.0 kDa
excluded_volume	120290 Å³
envelope_volume	150910 Å³
shell_volume	39221 Å³
envelope_diameter	117.3 Å
shell_rg	38.78 Å
envelope_rg	32.31 Å
shape_rg	32.80 Å
total_rg	33.18 Å
total_atoms	6743
n_residues	845
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	109.0 Å
rg_real	33.69 Å
rg_real_error	0.72 Å
i0_real	1.3620e+08
i0_real_error	2.1740e+06
rg_reciprocal	33.65 Å
i0_reciprocal	136200000.0000
total_estimate	0.8856
solution_quality	GOOD a GOOD solution
n_peaks	2
r_peak_primary	37.1 Å
skewness	0.381
kurtosis	-0.427
angular_range	— – 0.2350 Å⁻¹
current_alpha	0.0000
highest_alpha	27010000.0000
n_real_points	48
gnom_version	4.1.3
quality_criteria	AN1: 0.000; Oscil: 0.915; Stabil: 1.000; Sysdev: 1.000; Positv: 1.000; Valcen: 0.951; Smooth: 0.813

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4. Crystallography & Experiment

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5. Entities & Polymer Info (3)

Entity 1 polymer

description	Hydroxycinnamoyl-CoA: tartaric acid hydroxycinnamoyl transferase
formula_weight	48216.2 kDa
src_method	man
entity_count	2

Polymer

type	polypeptide(L)
strand_id	A,B
atom_count	6989

GAMGMKVVVRESTVVRPAEESPPRKLWNSSLDLTNLNGHTLVVYFYRPNGASDFFNTKLMKDTLSRMLVAFYPFAGRFKYDQHGRVETDCQGQGALFLEAESDGLIDDFGDFLPTLEYLKLIPAIDYSKGIDSFPLMVFQVTFFKCGGVSLGVGMHHHLVDGMSGLHFTNTWADMTRGLDITLPPFIDRTLLRPRDPPRPVFEHIEYQSDPTPLKVSLDETKTSFSMFKLTRNQLALLKEKAKEEGNKISYTTFEMFSAHVWKCVCKARGLPDDVETKLYLPVDGRARLQPPLPPGYFGNVIFDAAVIATAGDIKSKPIWYAAGKIHDSLARMNNDYLRSAIDYLEQHNCKKPYVDYNTNLRINSWARLPIHDADFGWGRPIFMGRTGLPSVGRVYVLPSAMDDGSLSIILGLEAEEMKVFGNLLYAI

Source

organism	Echinacea purpurea
ncbi_taxonomy_id	53751
host_organism	;Escherichia coli 'BL21-Gold(DE3)pLysS AG' ;

Entity 2 non-polymer

description	GLYCEROL
formula_weight	92.1 kDa
src_method	syn
entity_count	2

Entity 3 water

description	water
formula_weight	18.0 kDa
src_method	nat
entity_count	246

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6. Citations (1)

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length_a	94.049 Å
length_b	181.623 Å
length_c	129.754 Å
angle_alpha	90.00 °
angle_beta	90.00 °
angle_gamma	90.00 °
z_pdb	16

space_group	C 2 2 21
int_tables_number	20
crystal_system	—

resolution	2.290 Å
resolution_low	35.110 Å
r_factor	0.1861
r_work	0.1840
r_free	0.2348

fit	/app/data/saxs_computation/wt/9wts/9wts.fit
pddf	/app/data/pr_computation/wt/9wts/9wts.pr.out
profile	/app/data/saxs_computation/wt/9wts/9wts.dat

Structure of the EpHTT from Echinacea purpurea

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