SAXSdb — 9v7m

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1. Structure Basics

entry_id	9v7m
deposition_date	2025-05-28
last_revision	2026-06-03
title	The complex structure of HnH6H and hyoscyamine
keywords	hyoscyamine, hydroxylation, non-heme oxygenases, 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	20.26 Å
rg_electron	18.99 Å
i0	21349400.00
molecular_weight	36389.0 kDa
excluded_volume	45991 Å³
envelope_volume	52499 Å³
shell_volume	22387 Å³
envelope_diameter	70.3 Å
shell_rg	26.17 Å
envelope_rg	19.41 Å
shape_rg	19.00 Å
total_rg	19.97 Å
total_atoms	2559
n_residues	315
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	68.7 Å
rg_real	20.14 Å
rg_real_error	0.39 Å
i0_real	2.1350e+07
i0_real_error	2.8110e+05
rg_reciprocal	20.16 Å
i0_reciprocal	21350000.0000
total_estimate	0.8622
solution_quality	GOOD a GOOD solution
n_peaks	2
r_peak_primary	26.5 Å
skewness	0.187
kurtosis	-0.303
angular_range	— – 0.3900 Å⁻¹
current_alpha	0.0000
highest_alpha	6941000.0000
n_real_points	71
gnom_version	4.1.3
quality_criteria	AN1: 0.000; Oscil: 0.740; Stabil: 1.000; Sysdev: 1.000; Positv: 1.000; Valcen: 0.997; Smooth: 0.989

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4. Crystallography & Experiment

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5. Entities & Polymer Info (8)

Entity 1 polymer

description	Hyoscyamine 6-dioxygenase
formula_weight	43105.7 kDa
ec_number	1.14.11.11
src_method	man
entity_count	1

Polymer

type	polypeptide(L)
strand_id	A
atom_count	2875

MATFVSNWSTKSVSESFIAPLQKRAEKDVPVGNDVPIIDLQQHHHLLVQQITKACQDFGLFQVINHGFPEELMLETMEVCKEFFALPAEEKEKFKPKGEAAKFELPLEQKAKLYIEGEQLSNEEFLYWKDTLAHGCHPLDQDLVNSWPEKPAKYREVVAKYSVEVRKLTMRMLDYICEGLGLKLGYFDNELSQIQMMLTNYYPPCPDPSSTLGSGGHYDGNLITLLQQDLPGLQQLIVKDATWIAVQPIPTAFVVNLGLTLKVITNEKFEGSIHRVVTDPTRDRVSIATLIGPDYSCTIEPAKELLNQDNPPLYKPYSYSEFADIYLSDKSDYDSGVKPYKINVGGKGPGDGPGGSGGPRGGENLYFQSGHHHHHHHHGGRGGAAA

Source

organism	Hyoscyamus niger
common_name	henbane
ncbi_taxonomy_id	4079
host_organism	Escherichia coli BL21(DE3)

Entity 2 non-polymer

description	2-OXOGLUTARIC ACID
formula_weight	146.1 kDa
src_method	syn
entity_count	1

Entity 3 non-polymer

description	CHLORIDE ION
formula_weight	35.5 kDa
src_method	syn
entity_count	2

Entity 4 non-polymer

description	[(1S,5R)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl] (2S)-3-hydroxy-2-phenylpropanoate
formula_weight	289.4 kDa
src_method	syn
entity_count	1

Entity 5 non-polymer

description	FE (II) ION
formula_weight	55.8 kDa
src_method	syn
entity_count	1

Entity 6 non-polymer

description	1,2-ETHANEDIOL
formula_weight	62.1 kDa
src_method	syn
entity_count	1

Entity 7 non-polymer

description	SODIUM ION
formula_weight	23.0 kDa
src_method	syn
entity_count	1

Entity 8 water

description	water
formula_weight	18.0 kDa
src_method	nat
entity_count	289

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6. Citations (1)

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length_a	43.205 Å
length_b	80.073 Å
length_c	47.802 Å
angle_alpha	90.00 °
angle_beta	98.12 °
angle_gamma	90.00 °
z_pdb	2

space_group	P 1 21 1
int_tables_number	4
crystal_system	monoclinic

resolution	1.700 Å
resolution_low	19.566 Å
r_factor	0.1684
r_work	0.1667
r_free	0.1989

fit	/app/data/saxs_computation/v7/9v7m/9v7m.fit
pddf	/app/data/pr_computation/v7/9v7m/9v7m.pr.out
profile	/app/data/saxs_computation/v7/9v7m/9v7m.dat

The complex structure of HnH6H and hyoscyamine

SAXS Profile

P(r) Distribution