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9uwr

Pictet-Spenglerase AsKslB in complex with product of L-Trp and a-ketoglutaric acid

Method: X-RAY DIFFRACTION D_max: 85.9 Å Quality: GOOD

SAXS Profile

P(r) Distribution

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1. Structure Basics

entry_id	9uwr
deposition_date	2025-05-12
last_revision	2026-05-27
title	Pictet-Spenglerase AsKslB in complex with product of L-Trp and a-ketoglutaric acid
keywords	Pictet-Spenglerase, 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	24.71 Å
rg_electron	23.77 Å
i0	134937000.00
molecular_weight	62207.0 kDa
excluded_volume	60503 Å³
envelope_volume	92701 Å³
shell_volume	31629 Å³
envelope_diameter	87.7 Å
shell_rg	32.05 Å
envelope_rg	24.05 Å
shape_rg	23.74 Å
total_rg	24.45 Å
total_atoms	4723
n_residues	578
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	85.9 Å
rg_real	24.62 Å
rg_real_error	0.51 Å
i0_real	1.3490e+08
i0_real_error	1.7740e+06
rg_reciprocal	24.64 Å
i0_reciprocal	134900000.0000
total_estimate	0.8573
solution_quality	GOOD a GOOD solution
n_peaks	1
r_peak_primary	30.0 Å
skewness	0.325
kurtosis	-0.165
angular_range	— – 0.3200 Å⁻¹
current_alpha	0.0001
highest_alpha	40120000.0000
n_real_points	64
gnom_version	4.1.3
quality_criteria	AN1: 0.000; Oscil: 0.721; Stabil: 1.000; Sysdev: 1.000; Positv: 1.000; Valcen: 0.982; Smooth: 0.996

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4. Crystallography & Experiment

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5. Entities & Polymer Info (4)

Entity 1 polymer

description	Cucumopine synthase C-terminal helical bundle domain-containing protein
formula_weight	38407.2 kDa
src_method	man
entity_count	2

Polymer

type	polypeptide(L)
strand_id	A,B
atom_count	4928

MGSSHHHHHHSSGLVPRGSHMSATVSTLEEVAFPELKDLTRKLMADEPSEILQLRSGSLTAAPGSYDQYFTTWDFANGIVRDYSMNLYQLVRMAHDESLPVENVLTVFKTWDPIYSTFLGYSGFPMLAEYAARIREPVDSREELVDRLTTFTEYVNRLTAWSHHYFPWHVGEHYRYDAGELALREEYSPAPVAAERNGSRRVPIRLRWEPLGLEVDAELACDLNEQLCGDFIRSLPFTVLQDHAMVSGESMYAWAPLVSVAPTPVTERICDAPPGRLRFSQATGNKLIVQYGPTTETLSAPVLGQVVDKHVDRLPEVGKAVWESTFRSKELIWISVDRL

Source

organism	Actinosynnema sp. ALI-1.44
ncbi_taxonomy_id	1933779
host_organism	Escherichia coli

Entity 2 non-polymer

description	TRIS-HYDROXYMETHYL-METHYL-AMMONIUM
formula_weight	122.1 kDa
src_method	syn
entity_count	2

Entity 3 non-polymer

description	(1~{S},3~{S})-1-(3-hydroxy-3-oxopropyl)-2,3,4,9-tetrahydropyrido[3,4-b]indole-1,3-dicarboxylic acid
formula_weight	332.3 kDa
src_method	syn
entity_count	2

Entity 4 water

description	water
formula_weight	18.0 kDa
src_method	nat
entity_count	191

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6. Citations (1)

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length_a	59.220 Å
length_b	59.220 Å
length_c	332.030 Å
angle_alpha	90.00 °
angle_beta	90.00 °
angle_gamma	90.00 °
z_pdb	16

space_group	P 41 21 2
int_tables_number	92
crystal_system	—

resolution	2.110 Å
resolution_low	41.550 Å
r_factor	0.2115
r_work	0.2094
r_free	0.2521

fit	/app/data/saxs_computation/uw/9uwr/9uwr.fit
pddf	/app/data/pr_computation/uw/9uwr/9uwr.pr.out
profile	/app/data/saxs_computation/uw/9uwr/9uwr.dat

Pictet-Spenglerase AsKslB in complex with product of L-Trp and a-ketoglutaric acid

SAXS Profile

P(r) Distribution

1. Structure Basics

Download Data

2. SAXS Parameters (CRYSOL)

3. P(r) Analysis (GNOM)

4. Crystallography & Experiment

Unit Cell

Symmetry

Refinement

Diffraction