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9uu9

Stilbene synthase of Cenchrus americanus in complex with resveratrol

Method: X-RAY DIFFRACTION D_max: 84.8 Å Quality: GOOD

SAXS Profile

P(r) Distribution

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1. Structure Basics

entry_id	9uu9
deposition_date	2025-05-06
last_revision	2026-05-27
title	Stilbene synthase of Cenchrus americanus in complex with resveratrol
keywords	Stilbene synthase, STS, Type III polyketide synthase, 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	27.33 Å
rg_electron	26.09 Å
i0	122274000.00
molecular_weight	86994.0 kDa
excluded_volume	108840 Å³
envelope_volume	125370 Å³
shell_volume	38241 Å³
envelope_diameter	88.3 Å
shell_rg	35.12 Å
envelope_rg	26.48 Å
shape_rg	26.11 Å
total_rg	26.91 Å
total_atoms	6104
n_residues	782
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	84.8 Å
rg_real	27.20 Å
rg_real_error	0.51 Å
i0_real	1.2230e+08
i0_real_error	1.7770e+06
rg_reciprocal	27.24 Å
i0_reciprocal	122300000.0000
total_estimate	0.8999
solution_quality	GOOD a GOOD solution
n_peaks	2
r_peak_primary	32.1 Å
skewness	0.225
kurtosis	-0.417
angular_range	— – 0.2900 Å⁻¹
current_alpha	0.0000
highest_alpha	32490000.0000
n_real_points	59
gnom_version	4.1.3
quality_criteria	AN1: 0.000; Oscil: 0.918; Stabil: 1.000; Sysdev: 1.000; Positv: 1.000; Valcen: 0.988; Smooth: 0.952

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4. Crystallography & Experiment

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5. Entities & Polymer Info (5)

Entity 1 polymer

description	Stilbene synthase
formula_weight	44070.4 kDa
src_method	man
entity_count	2

Polymer

type	polypeptide(L)
strand_id	A,B
atom_count	7081

GGSKLLQMAANVTVEEVRKAQRAEGPATVLAIGTTTPPNCMYQADYADYYFRVTKSEHMTELKEKFKRICHKSMIQKRYLHLTEDILLENPNMASYSAPSLNARQDILVEEVPKMGAVAAEKALKEWGQPRSQITHIIFCTTSGVDMPGADSRTIKLLGLNPSVKRVMLYHQGCFAGGMVLRIAKDLAENNRGARVLIVCSEITVVTFRGPSEDHLDSLVGQALFGDGAAAVIVGADPDEHMERSLFQMVSASETILPNSDGAIEGHLREVGLTFHLQERVPELISSNIERLLEESFKPLGISDWNSIFWVAHPGGPAILNAVEKKAGIDKARLRATRQVLSEYGNMSSACVLFILDEMRKFSAEDGRTTTGEGMDWGVLFGFGPGLTVETIVLHSVPIATA

Source

organism	Cenchrus americanus
ncbi_taxonomy_id	4543
host_organism	Escherichia coli BL21(DE3)

Entity 2 non-polymer

description	RESVERATROL
formula_weight	228.2 kDa
src_method	syn
entity_count	2

Entity 3 non-polymer

description	GLYCEROL
formula_weight	92.1 kDa
src_method	syn
entity_count	2

Entity 4 non-polymer

description	1,2-ETHANEDIOL
formula_weight	62.1 kDa
src_method	syn
entity_count	5

Entity 5 water

description	water
formula_weight	18.0 kDa
src_method	nat
entity_count	688

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6. Citations (1)

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length_a	105.345 Å
length_b	137.422 Å
length_c	179.102 Å
angle_alpha	90.00 °
angle_beta	90.00 °
angle_gamma	90.00 °
z_pdb	16

space_group	I 2 2 2
int_tables_number	23
crystal_system	—

resolution	1.400 Å
resolution_low	89.712 Å
r_factor	—
r_work	0.1612
r_free	0.1791

fit	/app/data/saxs_computation/uu/9uu9/9uu9.fit
pddf	/app/data/pr_computation/uu/9uu9/9uu9.pr.out
profile	/app/data/saxs_computation/uu/9uu9/9uu9.dat