← Back to search

9rrz

Sesterterpene Synthase from Kitasatospora viridis (apo)

Method: X-RAY DIFFRACTION D_max: 61.9 Å Quality: EXCELLENT

SAXS Profile

P(r) Distribution

▼

1. Structure Basics

entry_id	9rrz
deposition_date	2025-06-30
title	Sesterterpene Synthase from Kitasatospora viridis (apo)
keywords	;Type I Terpene Synthases, Terpene Cyclization Mechanism, Carbocation Cascade, Enzyme Engineering, Active Site Mutagenesis, Chemodiversity, LYASE ;; LYASE
method	X-RAY DIFFRACTION

▼

Download Data

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

▼

2. SAXS Parameters (CRYSOL)

rg_guinier	20.79 Å
rg_electron	19.43 Å
i0	24375900.00
molecular_weight	38324.0 kDa
excluded_volume	48146 Å³
envelope_volume	55741 Å³
shell_volume	23226 Å³
envelope_diameter	61.7 Å
shell_rg	26.56 Å
envelope_rg	19.54 Å
shape_rg	19.42 Å
total_rg	20.40 Å
total_atoms	2709
n_residues	339
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	61.9 Å
rg_real	20.62 Å
rg_real_error	0.34 Å
i0_real	2.4380e+07
i0_real_error	2.8960e+05
rg_reciprocal	20.65 Å
i0_reciprocal	24380000.0000
total_estimate	0.9064
solution_quality	EXCELLENT a EXCELLENT solution
n_peaks	2
r_peak_primary	27.8 Å
skewness	0.064
kurtosis	-0.516
angular_range	— – 0.3800 Å⁻¹
current_alpha	0.0000
highest_alpha	5532000.0000
n_real_points	70
gnom_version	4.1.3
quality_criteria	AN1: 0.000; Oscil: 0.935; Stabil: 1.000; Sysdev: 1.000; Positv: 1.000; Valcen: 0.974; Smooth: 0.999

▶

4. Crystallography & Experiment

▶

5. Entities & Polymer Info (4)

Entity 1 polymer

description	Terpene synthase
formula_weight	39807.8 kDa
ec_number	4.2.3.-
src_method	man
entity_count	1

Polymer

type	polypeptide(L)
strand_id	A
atom_count	3169

STSSAIELLPFHCPFAAAVNPRLAEIEKLCVDWIDEFRLYQDDAQRERLIATKAAEVYARALPNAAPERVADVAKWLYWGFATDDMVYDNGPVSVRAADFLPLIVQLARIADEPRSRFGFEIPYTDALRDLTVAITAPATPGQRIEWRSTARAWFFGMSWDVAYAERGEIPSLNDYLMMRMHTGGLASWAATLGIADGFELSARDADSPAVRALLESWSTFALIINDLMSYAKEIENKDTSSNIITVIARELSCSPQEAVPHAYSILDRISGLFLRLRADLLPGADQNLRALIAGMEHTWRAILDWGFTSARYTRRDPGSEPYQVFPGWAEQPHDTSPDPLPYPAIAWWWEQVAG

Source

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

Entity 2 non-polymer

description	DIMETHYL SULFOXIDE
formula_weight	78.1 kDa
src_method	syn
entity_count	2

Entity 3 non-polymer

description	GLYCEROL
formula_weight	92.1 kDa
src_method	syn
entity_count	1

Entity 4 water

description	water
formula_weight	18.0 kDa
src_method	nat
entity_count	426

▶

6. Citations (1)

▶

length_a	95.640 Å
length_b	95.640 Å
length_c	114.590 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	1.450 Å
resolution_low	30.000 Å
r_factor	0.1565
r_work	0.1553
r_free	0.1778

fit	/app/data/saxs_computation/rr/9rrz/9rrz.fit
pddf	/app/data/pr_computation/rr/9rrz/9rrz.pr.out
profile	/app/data/saxs_computation/rr/9rrz/9rrz.dat

Sesterterpene Synthase from Kitasatospora viridis (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