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9sm1

FPP-Methyltransferase from Pseudomonas chlororaphis in complex with SAH and FPP

Method: X-RAY DIFFRACTION D_max: 136.5 Å Quality: GOOD

SAXS Profile

P(r) Distribution

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1. Structure Basics

entry_id	9sm1
deposition_date	2025-09-05
title	FPP-Methyltransferase from Pseudomonas chlororaphis in complex with SAH and FPP
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	42.00 Å
rg_electron	41.59 Å
i0	676995000.00
molecular_weight	206870.0 kDa
excluded_volume	255870 Å³
envelope_volume	332270 Å³
shell_volume	66635 Å³
envelope_diameter	146.3 Å
shell_rg	46.78 Å
envelope_rg	40.93 Å
shape_rg	41.59 Å
total_rg	41.85 Å
total_atoms	14527
n_residues	1750
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	136.5 Å
rg_real	41.91 Å
rg_real_error	0.94 Å
i0_real	6.7700e+08
i0_real_error	1.1400e+07
rg_reciprocal	42.00 Å
i0_reciprocal	677100000.0000
total_estimate	0.8712
solution_quality	GOOD a GOOD solution
n_peaks	1
r_peak_primary	57.5 Å
skewness	0.258
kurtosis	-0.272
angular_range	— – 0.1900 Å⁻¹
current_alpha	0.0000
highest_alpha	318000000.0000
n_real_points	39
gnom_version	4.1.3
quality_criteria	AN1: 0.000; Oscil: 0.858; Stabil: 1.000; Sysdev: 1.000; Positv: 1.000; Valcen: 0.994; Smooth: 0.754

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4. Crystallography & Experiment

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5. Entities & Polymer Info (6)

Entity 1 polymer

description	Methyltransferase domain protein
formula_weight	34210.7 kDa
src_method	man
entity_count	6

Polymer

type	polypeptide(L)
strand_id	A,B,C,D,E,F
atom_count	15000

SYHVIRGAEVSGYEGKVVYTYQDDPEDWRKAIGDRLMFQFGVYDDPRSRPPISPDESGLRYFDRQMELAGYGRGDFGPVKRILDVGCGWGFGLKYLADRFPACPRLDGINISARQLEYCAKYHAEHRLSERINLYLCNAQDVDLLPHADEPYDLVTVRGVISHFPNDLYERSMAKLASRLRPGATVIISDNLYNLPLEQYRSDTADDVDRLACKHRKTPGYFRQVLEQCGLNVEDMRVLPENIDVARWFMDVKKNIETHFTPDTIPPPLEELRVMAVNVSVALIKDQFSTYSVIARHP

Source

organism	Pseudomonas chlororaphis
ncbi_taxonomy_id	587753
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	6

Entity 3 non-polymer

description	FARNESYL DIPHOSPHATE
formula_weight	382.3 kDa
src_method	syn
entity_count	4

Entity 4 non-polymer

description	MAGNESIUM ION
formula_weight	24.3 kDa
src_method	syn
entity_count	1

Entity 5 non-polymer

description	PHOSPHATE ION
formula_weight	95.0 kDa
src_method	syn
entity_count	22

Entity 6 water

description	water
formula_weight	18.0 kDa
src_method	nat
entity_count	473

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6. Citations (1)

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length_a	261.430 Å
length_b	100.040 Å
length_c	89.540 Å
angle_alpha	90.00 °
angle_beta	98.03 °
angle_gamma	90.00 °
z_pdb	24

space_group	C 1 2 1
int_tables_number	5
crystal_system	—

resolution	2.200 Å
resolution_low	30.000 Å
r_factor	0.1860
r_work	0.1843
r_free	0.2174

fit	/app/data/saxs_computation/sm/9sm1/9sm1.fit
pddf	/app/data/pr_computation/sm/9sm1/9sm1.pr.out
profile	/app/data/saxs_computation/sm/9sm1/9sm1.dat