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9ruw

Nicotine Glucoside Synthase (BBL) in complex with FAD

Method: X-RAY DIFFRACTION D_max: 108.7 Å Quality: GOOD

SAXS Profile

P(r) Distribution

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1. Structure Basics

entry_id	9ruw
deposition_date	2025-07-05
last_revision	2026-04-22
title	Nicotine Glucoside Synthase (BBL) in complex with FAD
keywords	Nicotine, FAD, BBL, Oxidoreductase; OXIDOREDUCTASE
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	33.21 Å
rg_electron	32.88 Å
i0	186589000.00
molecular_weight	111480.0 kDa
excluded_volume	139900 Å³
envelope_volume	165390 Å³
shell_volume	41623 Å³
envelope_diameter	117.8 Å
shell_rg	39.65 Å
envelope_rg	32.95 Å
shape_rg	32.86 Å
total_rg	33.47 Å
total_atoms	7862
n_residues	995
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	108.7 Å
rg_real	33.30 Å
rg_real_error	0.94 Å
i0_real	1.8660e+08
i0_real_error	3.4190e+06
rg_reciprocal	33.27 Å
i0_reciprocal	186600000.0000
total_estimate	0.8783
solution_quality	GOOD a GOOD solution
n_peaks	1
r_peak_primary	34.0 Å
skewness	0.379
kurtosis	-0.480
angular_range	— – 0.2400 Å⁻¹
current_alpha	0.0000
highest_alpha	57730000.0000
n_real_points	49
gnom_version	4.1.3
quality_criteria	AN1: 0.000; Oscil: 0.873; Stabil: 1.000; Sysdev: 1.000; Positv: 1.000; Valcen: 0.958; Smooth: 0.836

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4. Crystallography & Experiment

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5. Entities & Polymer Info (5)

Entity 1 polymer

description	Berberine bridge enzyme-like A
formula_weight	62311.7 kDa
ec_number	1.1.1.-
src_method	man
entity_count	2

Polymer

type	polypeptide(L)
strand_id	A,B
atom_count	7898

MGFPLIILISFSLASLSETATGAVTNLSACLINHNVHNFSIYPTSRNYFNLLHFSLQNLRFAAPFMPKPTFIILPSSKEELVSTIFCCRKASYEIRVRCGGHSYEGTSYVSFDASPFVIVDLMKLDDVSVDLDSETAWAQGGATIGQIYYAIAKVSDVHAFSAGSGPTVGSGGHISGGGFGLLSRKFGLAADNVVDALLIDADGRLLDRKAMGEDVFWAIRGGGGGNWGIVYAWKIRLLKVPKIVTTCMIYRPGSKQYVAQILEKWQIVTPNLVDDFTLGVLLRPADLPADMKYGNTTPIEIFPQFNALYLGPKTEVLSISNETFPELGVKNDECKEMTWVESALFFSELADVNGNSTGDISRLKERYMDGKGFFKGKTDYVKKPVSMDGMLTFLVELEKNPKGYLVFDPYGGAMDKISDQAIAFPHRKGNLFAIQYLAQWNEEDDYMSDVYMEWIRGFYNTMTPFVSSSPRGAYINYLDMDLGVNMVDDYLLRNASSSSPSSSVDAVERARAWGEMYFLHNYDRLVKAKTQIDPLNVFRHEQSIPPMLGSTQEHKYSSE

Source

organism	Nicotiana tabacum
common_name	common tobacco
ncbi_taxonomy_id	4097
host_organism	Komagataella phaffii

Entity 2 non-polymer

description	SULFATE ION
formula_weight	96.1 kDa
src_method	syn
entity_count	1

Entity 3 non-polymer

description	2-acetamido-2-deoxy-beta-D-glucopyranose
formula_weight	221.2 kDa
src_method	syn
entity_count	2

Entity 4 non-polymer

description	FLAVIN-ADENINE DINUCLEOTIDE
formula_weight	785.5 kDa
src_method	nat
entity_count	2

Entity 5 water

description	water
formula_weight	18.0 kDa
src_method	nat
entity_count	30

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6. Citations (1)

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length_a	81.621 Å
length_b	111.734 Å
length_c	146.277 Å
angle_alpha	90.00 °
angle_beta	90.00 °
angle_gamma	90.00 °
z_pdb	8

space_group	P 21 21 21
int_tables_number	19
crystal_system	—

resolution	2.550 Å
resolution_low	73.250 Å
r_factor	0.2945
r_work	0.2929
r_free	0.3244

fit	/app/data/saxs_computation/ru/9ruw/9ruw.fit
pddf	/app/data/pr_computation/ru/9ruw/9ruw.pr.out
profile	/app/data/saxs_computation/ru/9ruw/9ruw.dat