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9qyu

Crystal structure of leaf branch compost cutinase quintuple variant ICCG L50Y

Method: X-RAY DIFFRACTION D_max: 55.4 Å Quality: GOOD

SAXS Profile

P(r) Distribution

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1. Structure Basics

entry_id	9qyu
deposition_date	2025-04-21
title	Crystal structure of leaf branch compost cutinase quintuple variant ICCG L50Y
keywords	Hydrolase, cutinase, PET depolymerase; HYDROLASE
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	18.05 Å
rg_electron	16.72 Å
i0	14442700.00
molecular_weight	27957.0 kDa
excluded_volume	34696 Å³
envelope_volume	37395 Å³
shell_volume	18251 Å³
envelope_diameter	55.0 Å
shell_rg	23.37 Å
envelope_rg	16.96 Å
shape_rg	16.68 Å
total_rg	17.76 Å
total_atoms	1968
n_residues	257
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	55.4 Å
rg_real	17.88 Å
rg_real_error	0.30 Å
i0_real	1.4440e+07
i0_real_error	1.6900e+05
rg_reciprocal	17.90 Å
i0_reciprocal	14440000.0000
total_estimate	0.8956
solution_quality	GOOD a GOOD solution
n_peaks	2
r_peak_primary	24.7 Å
skewness	0.046
kurtosis	-0.496
angular_range	— – 0.4400 Å⁻¹
current_alpha	0.0000
highest_alpha	4190000.0000
n_real_points	75
gnom_version	4.1.3
quality_criteria	AN1: 0.000; Oscil: 0.891; Stabil: 1.000; Sysdev: 1.000; Positv: 1.000; Valcen: 0.975; Smooth: 0.990

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4. Crystallography & Experiment

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5. Entities & Polymer Info (4)

Entity 1 polymer

description	Leaf-branch compost cutinase
formula_weight	27585.9 kDa
ec_number	3.1.1.74,3.1.1.101
src_method	man
entity_count	1

Polymer

type	polypeptide(L)
strand_id	B
atom_count	2201

SNPYQRGPNPTRSALTADGPFSVATYTVSRLSVSGFGGGVIYYPTGTSYTFGGIAMSPGYTADASSLAWLGRRLASHGFVVLVINTNSRFDGPDSRASQLSAALNYLRTSSPSAVRARLDANRLAVAGHSMGGGGTLRIAEQNPSLKAAVPLTPWHTDKTFNTSVPVLIVGAEADTVAPVSQHAIPFYQNLPSTTPKVYVELCNASHIAPNSNNAAISVYTISWMKLWVDNDTRYRQFLCNVNDPALCDFRTNNRHC

Source

organism	uncultured bacterium
ncbi_taxonomy_id	77133
host_organism	Escherichia coli BL21(DE3)

Entity 2 non-polymer

description	1,2-ETHANEDIOL
formula_weight	62.1 kDa
src_method	syn
entity_count	6

Entity 3 non-polymer

description	CHLORIDE ION
formula_weight	35.5 kDa
src_method	syn
entity_count	1

Entity 4 water

description	water
formula_weight	18.0 kDa
src_method	nat
entity_count	205

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6. Citations (1)

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length_a	96.650 Å
length_b	96.650 Å
length_c	73.710 Å
angle_alpha	90.00 °
angle_beta	90.00 °
angle_gamma	90.00 °
z_pdb	8

space_group	P 41 21 2
int_tables_number	92
crystal_system	—

resolution	1.510 Å
resolution_low	48.325 Å
r_factor	—
r_work	0.1494
r_free	0.1836

fit	/app/data/saxs_computation/qy/9qyu/9qyu.fit
pddf	/app/data/pr_computation/qy/9qyu/9qyu.pr.out
profile	/app/data/saxs_computation/qy/9qyu/9qyu.dat

Crystal structure of leaf branch compost cutinase quintuple variant ICCG L50Y

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