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9sm3

gamma-PSPP-Methyltransferase from Pseudomonas chlororaphis in complex with SAH

Method: X-RAY DIFFRACTION D_max: 145.3 Å Quality: REASONABLE

SAXS Profile

P(r) Distribution

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1. Structure Basics

entry_id	9sm3
deposition_date	2025-09-05
title	gamma-PSPP-Methyltransferase from Pseudomonas chlororaphis 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	43.87 Å
rg_electron	43.55 Å
i0	596525000.00
molecular_weight	195540.0 kDa
excluded_volume	242190 Å³
envelope_volume	318400 Å³
shell_volume	61831 Å³
envelope_diameter	146.5 Å
shell_rg	47.64 Å
envelope_rg	42.55 Å
shape_rg	43.54 Å
total_rg	43.75 Å
total_atoms	13796
n_residues	1689
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	145.3 Å
rg_real	45.45 Å
rg_real_error	0.52 Å
i0_real	5.9480e+08
i0_real_error	8.2340e+06
rg_reciprocal	43.87 Å
i0_reciprocal	596500000.0000
total_estimate	0.6878
solution_quality	REASONABLE a REASONABLE solution
n_peaks	1
r_peak_primary	52.5 Å
skewness	0.386
kurtosis	-0.419
angular_range	— – 0.1800 Å⁻¹
current_alpha	1.7840
highest_alpha	109600000.0000
n_real_points	37
gnom_version	4.1.3
quality_criteria	AN1: 0.000; Oscil: 0.925; Stabil: 0.892; Sysdev: 0.000; Positv: 1.000; Valcen: 0.970; Smooth: 0.587

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4. Crystallography & Experiment

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5. Entities & Polymer Info (5)

Entity 1 polymer

description	Methyltransferase domain protein
formula_weight	34773.0 kDa
src_method	man
entity_count	6

Polymer

type	polypeptide(L)
strand_id	A,B,C,D,E,F
atom_count	14139

SQVHKSAIEVIHSSTADHYQSKIESVYADPPEEWRKVIGNEFWYQYGVFDEKMDPSRLPLDASGRRHMEYQFELAEQAGADLSSQSIRRAIDIGCGWGPVLSFLAERYPHCERIDGVNVSRPQLEYASQVISREGLAARVRLYLCNAKDIGALPDPELPYDLAIFRGSLFHFTPQVLQETMQSLAQRMRPGGTVVISESLYKVDLATYQSFIPDKVDRAASGHRKTPDSLHKALEDNGFDVIDRRITPSNEEVIRWYGLVKDNLDAHYPDSRNPNFSELRDIAINFSDALRKDKASSFSFIARRR

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	SULFATE ION
formula_weight	96.1 kDa
src_method	syn
entity_count	3

Entity 4 non-polymer

description	SODIUM ION
formula_weight	23.0 kDa
src_method	syn
entity_count	1

Entity 5 water

description	water
formula_weight	18.0 kDa
src_method	nat
entity_count	343

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6. Citations (1)

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length_a	68.220 Å
length_b	68.320 Å
length_c	120.680 Å
angle_alpha	89.88 °
angle_beta	89.52 °
angle_gamma	76.31 °
z_pdb	6

space_group	P 1
int_tables_number	1
crystal_system	—

resolution	2.050 Å
resolution_low	30.000 Å
r_factor	0.1799
r_work	0.1779
r_free	0.2143

fit	/app/data/saxs_computation/sm/9sm3/9sm3.fit
pddf	/app/data/pr_computation/sm/9sm3/9sm3.pr.out
profile	/app/data/saxs_computation/sm/9sm3/9sm3.dat