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9xv6

Catalytic domain of N1363

Method: X-RAY DIFFRACTION D_max: 58.0 Å Quality: GOOD

SAXS Profile

P(r) Distribution

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1. Structure Basics

entry_id	9xv6
deposition_date	2025-11-25
last_revision	2026-06-03
title	Catalytic domain of N1363
keywords	PET hydrolase, HYDROLASE; 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	17.99 Å
rg_electron	16.56 Å
i0	13977600.00
molecular_weight	27681.0 kDa
excluded_volume	34421 Å³
envelope_volume	37216 Å³
shell_volume	18253 Å³
envelope_diameter	55.8 Å
shell_rg	23.33 Å
envelope_rg	16.82 Å
shape_rg	16.56 Å
total_rg	17.54 Å
total_atoms	1946
n_residues	258
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	58.0 Å
rg_real	17.82 Å
rg_real_error	0.27 Å
i0_real	1.3980e+07
i0_real_error	1.6340e+05
rg_reciprocal	17.84 Å
i0_reciprocal	13980000.0000
total_estimate	0.8028
solution_quality	GOOD a GOOD solution
n_peaks	2
r_peak_primary	24.3 Å
skewness	0.031
kurtosis	-0.501
angular_range	— – 0.4400 Å⁻¹
current_alpha	0.0000
highest_alpha	4791000.0000
n_real_points	75
gnom_version	4.1.3
quality_criteria	AN1: 0.000; Oscil: 0.816; Stabil: 1.000; Sysdev: 1.000; Positv: 1.000; Valcen: 0.984; Smooth: 0.000

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4. Crystallography & Experiment

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5. Entities & Polymer Info (4)

Entity 1 polymer

description	C3 cluster PET hydrolase
formula_weight	28530.0 kDa
src_method	man
entity_count	1

Polymer

type	polypeptide(L)
strand_id	A
atom_count	2294

MADNPYQRGPDPTRDSVAASRGTFATASTTVGSGNGFGAGFIYYPTDTSQGTFGAVAIVPGYTATWAAEGAWMGHWLASFGFVVIGIDTINRNDWDTARGTQLLAALDYLTQRSTVRDRVDASRLAVMGHSMGGGGAMYAALQRPSLKAAVGLAPFSPSQNLNGMRVPTMLLAGQHDTTTTPASITSLYNGIPAATEKAYLELSGAGHGFPTSNNSVMMRKVIPWLKIFVDSDVRYTQFLCPLMDNTGIRSYQSTCPLLEHHHHHH

Source

organism	Allorhizocola rhizosphaerae
ncbi_taxonomy_id	1872709
host_organism	Escherichia coli

Entity 2 non-polymer

description	GLYCEROL
formula_weight	92.1 kDa
src_method	nat
entity_count	1

Entity 3 non-polymer

description	1,2-ETHANEDIOL
formula_weight	62.1 kDa
src_method	syn
entity_count	3

Entity 4 water

description	water
formula_weight	18.0 kDa
src_method	nat
entity_count	255

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6. Citations (1)

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length_a	44.083 Å
length_b	40.901 Å
length_c	68.399 Å
angle_alpha	90.00 °
angle_beta	105.43 °
angle_gamma	90.00 °
z_pdb	2

space_group	P 1 21 1
int_tables_number	4
crystal_system	—

resolution	1.400 Å
resolution_low	34.760 Å
r_factor	—
r_work	0.1380
r_free	0.1430

fit	/app/data/saxs_computation/xv/9xv6/9xv6.fit
pddf	/app/data/pr_computation/xv/9xv6/9xv6.pr.out
profile	/app/data/saxs_computation/xv/9xv6/9xv6.dat

Catalytic domain of N1363

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