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9ug7

Structure of sulfonamide synthase SbzM from Actinokineospora mzabensis

Method: X-RAY DIFFRACTION D_max: 88.8 Å Quality: EXCELLENT

SAXS Profile

P(r) Distribution

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1. Structure Basics

entry_id	9ug7
deposition_date	2025-04-11
last_revision	2026-03-04
title	Structure of sulfonamide synthase SbzM from Actinokineospora mzabensis
keywords	altemicidin, biosynthesis, cupin oxygenase, OXYGEN BINDING; OXYGEN BINDING
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	30.32 Å
rg_electron	29.10 Å
i0	199763000.00
molecular_weight	107830.0 kDa
excluded_volume	133030 Å³
envelope_volume	161710 Å³
shell_volume	44763 Å³
envelope_diameter	89.8 Å
shell_rg	37.69 Å
envelope_rg	28.73 Å
shape_rg	29.03 Å
total_rg	30.09 Å
total_atoms	7504
n_residues	1044
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	88.8 Å
rg_real	30.08 Å
rg_real_error	0.54 Å
i0_real	1.9980e+08
i0_real_error	2.6650e+06
rg_reciprocal	30.19 Å
i0_reciprocal	199800000.0000
total_estimate	0.9090
solution_quality	EXCELLENT a EXCELLENT solution
n_peaks	1
r_peak_primary	39.3 Å
skewness	0.011
kurtosis	-0.587
angular_range	— – 0.2600 Å⁻¹
current_alpha	0.0000
highest_alpha	17360000.0000
n_real_points	53
gnom_version	4.1.3
quality_criteria	AN1: 0.000; Oscil: 0.959; Stabil: 1.000; Sysdev: 1.000; Positv: 1.000; Valcen: 0.973; Smooth: 0.962

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4. Crystallography & Experiment

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5. Entities & Polymer Info (6)

Entity 1 polymer

description	Cupin type-2 domain-containing protein
formula_weight	22656.6 kDa
src_method	man
entity_count	6

Polymer

type	polypeptide(L)
strand_id	A,F,D,B,C,E
atom_count	8017

MKHHHHHHHSDYDIPTTENLYFQGSVPHETRPPRTSAPALNIVTWADAELDDERTTLRVAHGPLPSAMHGAVGATGRELATIGAIGADLIRLPAGSGFQPHTHPGHHVLTVVGGIGTITYGGKVYETNAGQTYLIEGDVPHAVGAITDHVILAVGSPHMPVDHENRMAPVPYEEVIAPDGDLTCLICAVTALAPAKLHAEGCPHCPCATCVGVAP

Source

organism	Actinokineospora spheciospongiae
ncbi_taxonomy_id	909613
host_organism	Escherichia coli

Entity 2 non-polymer

description	OXYGEN MOLECULE
formula_weight	32.0 kDa
src_method	syn
entity_count	6

Entity 3 non-polymer

description	ZINC ION
formula_weight	65.4 kDa
src_method	syn
entity_count	12

Entity 4 non-polymer

description	NICKEL (II) ION
formula_weight	58.7 kDa
src_method	syn
entity_count	6

Entity 5 non-polymer

description	CHLORIDE ION
formula_weight	35.5 kDa
src_method	syn
entity_count	1

Entity 6 water

description	water
formula_weight	18.0 kDa
src_method	nat
entity_count	475

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6. Citations (1)

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length_a	75.617 Å
length_b	75.969 Å
length_c	105.032 Å
angle_alpha	90.00 °
angle_beta	103.19 °
angle_gamma	90.00 °
z_pdb	12

space_group	P 1 21 1
int_tables_number	4
crystal_system	monoclinic

resolution	1.940 Å
resolution_low	47.360 Å
r_factor	0.2040
r_work	0.2031
r_free	0.2385

fit	/app/data/saxs_computation/ug/9ug7/9ug7.fit
pddf	/app/data/pr_computation/ug/9ug7/9ug7.pr.out
profile	/app/data/saxs_computation/ug/9ug7/9ug7.dat