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9sm0

FPP-Methyltransferase from Burkholderia territorii in complex with SAH

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

SAXS Profile

P(r) Distribution

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1. Structure Basics

entry_id	9sm0
deposition_date	2025-09-05
title	FPP-Methyltransferase from Burkholderia territorii in complex with SAH
keywords	;Terpene Biosynthesis; SAM-dependent C-methyltransferases; Methylation-triggered cyclization; Carbocation cascades; Structural enzymology, BIOSYNTHETIC PROTEIN ;; BIOSYNTHETIC PROTEIN
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	19.67 Å
rg_electron	18.21 Å
i0	19556600.00
molecular_weight	32537.0 kDa
excluded_volume	40276 Å³
envelope_volume	46693 Å³
shell_volume	20805 Å³
envelope_diameter	63.2 Å
shell_rg	25.15 Å
envelope_rg	18.61 Å
shape_rg	18.15 Å
total_rg	19.33 Å
total_atoms	2282
n_residues	274
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	61.9 Å
rg_real	19.51 Å
rg_real_error	0.26 Å
i0_real	1.9560e+07
i0_real_error	2.3950e+05
rg_reciprocal	19.54 Å
i0_reciprocal	19560000.0000
total_estimate	0.8885
solution_quality	GOOD a GOOD solution
n_peaks	2
r_peak_primary	26.2 Å
skewness	0.128
kurtosis	-0.336
angular_range	— – 0.4050 Å⁻¹
current_alpha	0.0000
highest_alpha	4422000.0000
n_real_points	72
gnom_version	4.1.3
quality_criteria	AN1: 0.000; Oscil: 0.853; Stabil: 1.000; Sysdev: 1.000; Positv: 1.000; Valcen: 0.989; Smooth: 0.998

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4. Crystallography & Experiment

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5. Entities & Polymer Info (7)

Entity 1 polymer

description	Methyltransferase domain-containing protein
formula_weight	33510.8 kDa
src_method	man
entity_count	1

Polymer

type	polypeptide(L)
strand_id	A
atom_count	2613

SQGKSVSDYQRKIETTYEGDPADWRKAIGEYLLFQFGVYDDPRSTPPISLDESGIRYFERQLHLAGFDEPDHPSVERILDIGCGWGYILKYLADRFPHCMRLDGVNVSREQLEYCAQLHAKHGLEDRINLYQCNAQDVDLLPDAATPYDLVIIRGVISHFPNALYEKAMKALYPRVRPGGSVVISDNLYNVALDDYRSDTPDDVDRIACKHRKTPDYFAKVLTDAGFTLHDMRVLPSNIDVARWLMDSKANIEKHFPQGATGTLEELRVLAENWSVALIKNKVSTYSVIVTRPAA

Source

organism	Burkholderia territorii
ncbi_taxonomy_id	1503055
host_organism	Escherichia coli BL21(DE3)

Entity 2 non-polymer

description	S-ADENOSYL-L-HOMOCYSTEINE
formula_weight	384.4 kDa
src_method	syn
entity_count	1

Entity 3 non-polymer

description	2,3-DIHYDROXY-1,4-DITHIOBUTANE
formula_weight	154.3 kDa
src_method	syn
entity_count	1

Entity 4 non-polymer

description	CARBONATE ION
formula_weight	60.0 kDa
src_method	syn
entity_count	2

Entity 5 non-polymer

description	SULFATE ION
formula_weight	96.1 kDa
src_method	syn
entity_count	6

Entity 6 non-polymer

description	SODIUM ION
formula_weight	23.0 kDa
src_method	syn
entity_count	2

Entity 7 water

description	water
formula_weight	18.0 kDa
src_method	nat
entity_count	310

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6. Citations (1)

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length_a	108.630 Å
length_b	108.630 Å
length_c	73.290 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	1.400 Å
resolution_low	30.000 Å
r_factor	0.1465
r_work	0.1454
r_free	0.1683

fit	/app/data/saxs_computation/sm/9sm0/9sm0.fit
pddf	/app/data/pr_computation/sm/9sm0/9sm0.pr.out
profile	/app/data/saxs_computation/sm/9sm0/9sm0.dat