← Back to search

9uue

Stilbene synthase of Cenchrus americanus co-crystallized with p-coumaroyl-CoA and malonyl-CoA

Method: X-RAY DIFFRACTION D_max: 84.3 Å Quality: EXCELLENT

SAXS Profile

P(r) Distribution

▼

1. Structure Basics

entry_id	9uue
deposition_date	2025-05-06
last_revision	2026-05-27
title	Stilbene synthase of Cenchrus americanus co-crystallized with p-coumaroyl-CoA and malonyl-CoA
keywords	Stilbene synthase, STS, Type III polyketide synthase, TRANSFERASE; TRANSFERASE
method	X-RAY DIFFRACTION

▼

Download Data

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

▼

2. SAXS Parameters (CRYSOL)

rg_guinier	27.57 Å
rg_electron	26.25 Å
i0	130503000.00
molecular_weight	88550.0 kDa
excluded_volume	110220 Å³
envelope_volume	126380 Å³
shell_volume	38454 Å³
envelope_diameter	85.9 Å
shell_rg	35.23 Å
envelope_rg	26.50 Å
shape_rg	26.26 Å
total_rg	27.08 Å
total_atoms	6198
n_residues	790
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	84.3 Å
rg_real	27.43 Å
rg_real_error	0.50 Å
i0_real	1.3050e+08
i0_real_error	1.6870e+06
rg_reciprocal	27.47 Å
i0_reciprocal	130500000.0000
total_estimate	0.9024
solution_quality	EXCELLENT a EXCELLENT solution
n_peaks	2
r_peak_primary	33.5 Å
skewness	0.208
kurtosis	-0.457
angular_range	— – 0.2900 Å⁻¹
current_alpha	0.0000
highest_alpha	34620000.0000
n_real_points	59
gnom_version	4.1.3
quality_criteria	AN1: 0.000; Oscil: 0.936; Stabil: 1.000; Sysdev: 1.000; Positv: 1.000; Valcen: 0.988; Smooth: 0.931

▶

4. Crystallography & Experiment

▶

5. Entities & Polymer Info (4)

Entity 1 polymer

description	Stilbene synthase
formula_weight	43382.6 kDa
src_method	man
entity_count	2

Polymer

type	polypeptide(L)
strand_id	A,B
atom_count	6796

GGSMAANVTVEEVRKAQRAEGPATVLAIGTTTPPNCMYQADYADYYFRVTKSEHMTELKEKFKRICHKSMIQKRYLHLTEDILLENPNMASYSAPSLNARQDILVEEVPKMGAVAAEKALKEWGQPRSQITHIIFCTTSGVDMPGADSRTIKLLGLNPSVKRVMLYHQGCFAGGMVLRIAKDLAENNRGARVLIVCSEITVVTFRGPSEDHLDSLVGQALFGDGAAAVIVGADPDEHMERSLFQMVSASETILPNSDGAIEGHLREVGLTFHLQERVPELISSNIERLLEESFKPLGISDWNSIFWVAHPGGPAILNAVEKKAGIDKARLRATRQVLSEYGNMSSACVLFILDEMRKFSAEDGRTTTGEGMDWGVLFGFGPGLTVETIVLHSVPIA

Source

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

Entity 2 non-polymer

description	COENZYME A
formula_weight	767.5 kDa
src_method	syn
entity_count	2

Entity 3 non-polymer

description	GLYCEROL
formula_weight	92.1 kDa
src_method	syn
entity_count	5

Entity 4 water

description	water
formula_weight	18.0 kDa
src_method	nat
entity_count	354

▶

6. Citations (1)

▶

length_a	104.540 Å
length_b	138.150 Å
length_c	179.960 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	1.770 Å
resolution_low	47.180 Å
r_factor	—
r_work	0.1721
r_free	0.1905

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

Stilbene synthase of Cenchrus americanus co-crystallized with p-coumaroyl-CoA and malonyl-CoA

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