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9rs4

Sesterterpene Synthase from Kitasatospora viridis (V57L-Variant, apo)

Method: X-RAY DIFFRACTION D_max: 62.6 Å Quality: EXCELLENT

SAXS Profile

P(r) Distribution

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1. Structure Basics

entry_id	9rs4
deposition_date	2025-06-30
title	Sesterterpene Synthase from Kitasatospora viridis (V57L-Variant, apo)
keywords	;Type I Terpene Synthases, Terpene Cyclization Mechanism, Carbocation Cascade, Enzyme Engineering, Active Site Mutagenesis, Chemodiversity, LYASE ;; LYASE
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	20.87 Å
rg_electron	19.50 Å
i0	24986100.00
molecular_weight	38771.0 kDa
excluded_volume	48666 Å³
envelope_volume	56094 Å³
shell_volume	23285 Å³
envelope_diameter	62.4 Å
shell_rg	26.60 Å
envelope_rg	19.62 Å
shape_rg	19.48 Å
total_rg	20.47 Å
total_atoms	2743
n_residues	344
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	62.6 Å
rg_real	20.69 Å
rg_real_error	0.31 Å
i0_real	2.4990e+07
i0_real_error	3.1750e+05
rg_reciprocal	20.73 Å
i0_reciprocal	24990000.0000
total_estimate	0.9028
solution_quality	EXCELLENT a EXCELLENT solution
n_peaks	2
r_peak_primary	28.1 Å
skewness	0.051
kurtosis	-0.506
angular_range	— – 0.3800 Å⁻¹
current_alpha	0.0000
highest_alpha	5314000.0000
n_real_points	70
gnom_version	4.1.3
quality_criteria	AN1: 0.000; Oscil: 0.923; Stabil: 1.000; Sysdev: 1.000; Positv: 1.000; Valcen: 0.973; Smooth: 0.991

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4. Crystallography & Experiment

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5. Entities & Polymer Info (3)

Entity 1 polymer

description	Terpene synthase
formula_weight	39821.9 kDa
ec_number	4.2.3.-
mutation	V57L
src_method	man
entity_count	1

Polymer

type	polypeptide(L)
strand_id	A
atom_count	3147

STSSAIELLPFHCPFAAAVNPRLAEIEKLCVDWIDEFRLYQDDAQRERLIATKAAELYARALPNAAPERVADVAKWLYWGFATDDMVYDNGPVSVRAADFLPLIVQLARIADEPRSRFGFEIPYTDALRDLTVAITAPATPGQRIEWRSTARAWFFGMSWDVAYAERGEIPSLNDYLMMRMHTGGLASWAATLGIADGFELSARDADSPAVRALLESWSTFALIINDLMSYAKEIENKDTSSNIITVIARELSCSPQEAVPHAYSILDRISGLFLRLRADLLPGADQNLRALIAGMEHTWRAILDWGFTSARYTRRDPGSEPYQVFPGWAEQPHDTSPDPLPYPAIAWWWEQVAG

Source

organism	Kitasatospora viridis
ncbi_taxonomy_id	281105
host_organism	Escherichia coli BL21(DE3)

Entity 2 non-polymer

description	GLYCEROL
formula_weight	92.1 kDa
src_method	syn
entity_count	1

Entity 3 water

description	water
formula_weight	18.0 kDa
src_method	nat
entity_count	347

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6. Citations (1)

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length_a	95.760 Å
length_b	95.760 Å
length_c	112.300 Å
angle_alpha	90.00 °
angle_beta	90.00 °
angle_gamma	90.00 °
z_pdb	8

space_group	P 41 21 2
int_tables_number	92
crystal_system	—

resolution	1.650 Å
resolution_low	30.000 Å
r_factor	0.1530
r_work	0.1517
r_free	0.1768

fit	/app/data/saxs_computation/rs/9rs4/9rs4.fit
pddf	/app/data/pr_computation/rs/9rs4/9rs4.pr.out
profile	/app/data/saxs_computation/rs/9rs4/9rs4.dat

Sesterterpene Synthase from Kitasatospora viridis (V57L-Variant, apo)

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