Crystal structure of Pictet-Spenglerase AsKslB

Method: X-RAY DIFFRACTION D_max: 64.9 Å Quality: REASONABLE

SAXS Profile

P(r) Distribution

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1. Structure Basics

entry_id	9uwa
deposition_date	2025-05-12
last_revision	2026-05-27
title	Crystal structure of Pictet-Spenglerase AsKslB
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	20.43 Å
rg_electron	19.29 Å
i0	18003500.00
molecular_weight	32656.0 kDa
excluded_volume	41040 Å³
envelope_volume	47532 Å³
shell_volume	20463 Å³
envelope_diameter	66.7 Å
shell_rg	25.82 Å
envelope_rg	19.54 Å
shape_rg	19.28 Å
total_rg	20.23 Å
total_atoms	2308
n_residues	285
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	64.9 Å
rg_real	20.33 Å
rg_real_error	0.41 Å
i0_real	1.8000e+07
i0_real_error	2.3950e+05
rg_reciprocal	20.35 Å
i0_reciprocal	18000000.0000
total_estimate	0.6356
solution_quality	REASONABLE a REASONABLE solution
n_peaks	2
r_peak_primary	25.0 Å
skewness	0.177
kurtosis	-0.480
angular_range	— – 0.3900 Å⁻¹
current_alpha	0.0000
highest_alpha	3368000.0000
n_real_points	71
gnom_version	4.1.3
quality_criteria	AN1: 0.000; Oscil: 0.895; Stabil: 1.000; Sysdev: 0.193; Positv: 1.000; Valcen: 0.996; Smooth: 0.000

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4. Crystallography & Experiment

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5. Entities & Polymer Info (2)

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6. Citations (1)

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length_a	59.141 Å
length_b	59.141 Å
length_c	358.333 Å
angle_alpha	90.00 °
angle_beta	90.00 °
angle_gamma	120.00 °
z_pdb	12

space_group	P 65 2 2
int_tables_number	179
crystal_system	—

resolution	2.600 Å
resolution_low	29.190 Å
r_factor	0.2019
r_work	0.1994
r_free	0.2482

description	Cucumopine synthase C-terminal helical bundle domain-containing protein
formula_weight	38407.2 kDa
src_method	man
entity_count	1

type	polypeptide(L)
strand_id	A
atom_count	2333

Crystal structure of Pictet-Spenglerase AsKslB

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

5. Entities & Polymer Info (2)

Entity 1 polymer

Polymer

Source

Entity 2 water

6. Citations (1)

7. Files & Curves (10)

Files (7)

Curves (3)

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

description	water
formula_weight	18.0 kDa
src_method	nat
entity_count	11

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