← Back to search

9uub

8xMT mutant of stilbene synthase

Method: X-RAY DIFFRACTION D_max: 83.1 Å Quality: EXCELLENT

SAXS Profile

P(r) Distribution

▼

1. Structure Basics

entry_id	9uub
deposition_date	2025-05-06
last_revision	2026-05-27
title	8xMT mutant of stilbene synthase
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	27.47 Å
rg_electron	26.17 Å
i0	127802000.00
molecular_weight	87574.0 kDa
excluded_volume	109030 Å³
envelope_volume	125410 Å³
shell_volume	38265 Å³
envelope_diameter	85.3 Å
shell_rg	35.09 Å
envelope_rg	26.43 Å
shape_rg	26.18 Å
total_rg	26.98 Å
total_atoms	6132
n_residues	784
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	83.1 Å
rg_real	27.32 Å
rg_real_error	0.47 Å
i0_real	1.2780e+08
i0_real_error	1.9050e+06
rg_reciprocal	27.37 Å
i0_reciprocal	127800000.0000
total_estimate	0.9023
solution_quality	EXCELLENT a EXCELLENT solution
n_peaks	2
r_peak_primary	32.9 Å
skewness	0.209
kurtosis	-0.459
angular_range	— – 0.2900 Å⁻¹
current_alpha	0.0000
highest_alpha	35180000.0000
n_real_points	59
gnom_version	4.1.3
quality_criteria	AN1: 0.000; Oscil: 0.947; Stabil: 1.000; Sysdev: 1.000; Positv: 1.000; Valcen: 0.988; Smooth: 0.898

▶

4. Crystallography & Experiment

▶

5. Entities & Polymer Info (4)

Entity 1 polymer

description	stilbene synthase
formula_weight	43944.3 kDa
mutation	L101V/E103V/V160L/L162M/H164Q/M172T/I176V/V198A
src_method	man
entity_count	2

Polymer

type	polypeptide(L)
strand_id	A,B
atom_count	7253

GGSKLLQMAANVTVEEVRKAQRAEGPATVLAIGTTTPPNCMYQADYADYYFRVTKSEHMTELKEKFKRICHKSMIQKRYLHLTEDILLENPNMASYSAPSLNARQDIVVVEVPKMGAVAAEKALKEWGQPRSQITHIIFCTTSGVDMPGADSRTIKLLGLNPSVKRLMMYQQGCFAGGTVLRVAKDLAENNRGARVLIVCSEITAVTFRGPSEDHLDSLVGQALFGDGAAAVIVGADPDEHMERSLFQMVSASETILPNSDGAIEGHLREVGLTFHLQERVPELISSNIERLLEESFKPLGISDWNSIFWVAHPGGPAILNAVEKKAGIDKARLRATRQVLSEYGNMSSACVLFILDEMRKFSAEDGRTTTGEGMDWGVLFGFGPGLTVETIVLHSVPIATA

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	3

Entity 4 water

description	water
formula_weight	18.0 kDa
src_method	nat
entity_count	784

▶

6. Citations (1)

▶

length_a	104.640 Å
length_b	137.390 Å
length_c	178.280 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	1.410 Å
resolution_low	47.150 Å
r_factor	—
r_work	0.1575
r_free	0.1691

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

8xMT mutant of stilbene 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