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9wyf

Crystal structure of the TC domain of a bifunctional sesterterpene synthase

Method: X-RAY DIFFRACTION D_max: 70.8 Å Quality: GOOD

SAXS Profile

P(r) Distribution

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1. Structure Basics

entry_id	9wyf
deposition_date	2025-09-26
last_revision	2026-03-11
title	Crystal structure of the TC domain of a bifunctional sesterterpene synthase
keywords	sesterterpene synthase, BIOSYNTHETIC PROTEIN; BIOSYNTHETIC PROTEIN
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	21.42 Å
rg_electron	20.27 Å
i0	26341700.00
molecular_weight	39474.0 kDa
excluded_volume	49457 Å³
envelope_volume	59222 Å³
shell_volume	23866 Å³
envelope_diameter	77.0 Å
shell_rg	27.51 Å
envelope_rg	20.77 Å
shape_rg	20.23 Å
total_rg	21.32 Å
total_atoms	2781
n_residues	341
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	70.8 Å
rg_real	21.30 Å
rg_real_error	0.47 Å
i0_real	2.6340e+07
i0_real_error	3.2630e+05
rg_reciprocal	21.32 Å
i0_reciprocal	26340000.0000
total_estimate	0.7995
solution_quality	GOOD a GOOD solution
n_peaks	3
r_peak_primary	27.1 Å
skewness	0.214
kurtosis	-0.287
angular_range	— – 0.3700 Å⁻¹
current_alpha	0.0000
highest_alpha	5742000.0000
n_real_points	69
gnom_version	4.1.3
quality_criteria	AN1: 0.000; Oscil: 0.797; Stabil: 1.000; Sysdev: 1.000; Positv: 1.000; Valcen: 1.000; Smooth: 0.000

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4. Crystallography & Experiment

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5. Entities & Polymer Info (3)

Entity 1 polymer

description	Astellifadiene synthase
formula_weight	41936.3 kDa
ec_number	4.2.3.-,2.5.1.29,2.5.1.81
src_method	man
entity_count	1

Polymer

type	polypeptide(L)
strand_id	A
atom_count	2986

MGMEFKYSTLIDPEMYETEGLCDGIPVRYHNNPELEEIDCLRCHEHWRENVGPLGVYKGGLADQWNGISIAIPEALPDRLGVVSYASEFAFVHDDVIDIAQHGNEQNDDLRVGFEQMIDAGAIKYSTSGKRALQSYIAKRMLSIDRERAIISLRAWLEFIEKTGRQEERRFNNEKEFLKYRIYDVGMLFWYGLLTFAQKITIPENELTTCHELAIPAYRHMALLNDLVSWEKERASSIALGKDYCINFIFVAMEESGISEDEAKERCREEIKLATVDYLRVFDEAKDRIDLSHDTMLYLESLLYSMSGNVVWGLQSPRYYTDAKFSQRQLDWIKNGLPLEVRLEDRVFGLSPATEHHHHHH

Source

organism	Aspergillus stellatus
ncbi_taxonomy_id	1549217
host_organism	Escherichia coli BL21(DE3)

Entity 2 non-polymer

description	MAGNESIUM ION
formula_weight	24.3 kDa
src_method	syn
entity_count	1

Entity 3 water

description	water
formula_weight	18.0 kDa
src_method	nat
entity_count	205

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6. Citations (1)

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length_a	157.353 Å
length_b	51.904 Å
length_c	56.047 Å
angle_alpha	90.00 °
angle_beta	107.66 °
angle_gamma	90.00 °
z_pdb	4

space_group	C 1 2 1
int_tables_number	5
crystal_system	—

resolution	2.050 Å
resolution_low	26.700 Å
r_factor	0.1958
r_work	0.1923
r_free	0.2400

fit	/app/data/saxs_computation/wy/9wyf/9wyf.fit
pddf	/app/data/pr_computation/wy/9wyf/9wyf.pr.out
profile	/app/data/saxs_computation/wy/9wyf/9wyf.dat

Crystal structure of the TC domain of a bifunctional sesterterpene synthase

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