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9xv7

Catalytic domain of N1356

Method: X-RAY DIFFRACTION D_max: 54.4 Å Quality: GOOD

SAXS Profile

P(r) Distribution

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1. Structure Basics

entry_id	9xv7
deposition_date	2025-11-25
last_revision	2026-06-03
title	Catalytic domain of N1356
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	17.98 Å
rg_electron	16.56 Å
i0	14408100.00
molecular_weight	27790.0 kDa
excluded_volume	34406 Å³
envelope_volume	37203 Å³
shell_volume	18259 Å³
envelope_diameter	54.1 Å
shell_rg	23.32 Å
envelope_rg	16.79 Å
shape_rg	16.56 Å
total_rg	17.51 Å
total_atoms	1954
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	54.4 Å
rg_real	17.81 Å
rg_real_error	0.25 Å
i0_real	1.4410e+07
i0_real_error	1.7130e+05
rg_reciprocal	17.83 Å
i0_reciprocal	14410000.0000
total_estimate	0.8996
solution_quality	GOOD a GOOD solution
n_peaks	2
r_peak_primary	24.2 Å
skewness	0.025
kurtosis	-0.515
angular_range	— – 0.4400 Å⁻¹
current_alpha	0.0000
highest_alpha	4896000.0000
n_real_points	75
gnom_version	4.1.3
quality_criteria	AN1: 0.000; Oscil: 0.908; Stabil: 1.000; Sysdev: 1.000; Positv: 1.000; Valcen: 0.972; Smooth: 0.996

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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	28485.7 kDa
src_method	man
entity_count	1

Polymer

type	polypeptide(L)
strand_id	A
atom_count	2324

MADNPYQRGPDPTQSSVSASRGTFATAQVGVPAGNGFGGGVIYHPTDTSQGTFGAVAIVPGYTATWAAEGAWMGHWLASFGFVVIGIDTNNRNDWDTARGTQLLAALDYLTQRSSVRDRVDPSRTAVMGHSMGGGGAMYAALQRPSLKTAVGLAPFSPSQNLTTTRVPTMLLSGQNDTTTTPASIVNLYNGIPSSVEKAYLELTGAGHGFPTSNNSTMMRNVIPWLKIFVDSDTRYTQFLCPLSDSNGIRTYQNTCPLLEHHHHHH

Source

organism	Saccharothrix sp. CB00851
ncbi_taxonomy_id	1835005
host_organism	Escherichia coli

Entity 2 non-polymer

description	GLYCEROL
formula_weight	92.1 kDa
src_method	syn
entity_count	4

Entity 3 non-polymer

description	1,2-ETHANEDIOL
formula_weight	62.1 kDa
src_method	nat
entity_count	1

Entity 4 water

description	water
formula_weight	18.0 kDa
src_method	nat
entity_count	303

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6. Citations (1)

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length_a	40.057 Å
length_b	78.090 Å
length_c	40.222 Å
angle_alpha	90.00 °
angle_beta	113.99 °
angle_gamma	90.00 °
z_pdb	2

space_group	P 1 21 1
int_tables_number	4
crystal_system	—

resolution	1.200 Å
resolution_low	33.680 Å
r_factor	0.1399
r_work	0.1393
r_free	0.1511

fit	/app/data/saxs_computation/xv/9xv7/9xv7.fit
pddf	/app/data/pr_computation/xv/9xv7/9xv7.pr.out
profile	/app/data/saxs_computation/xv/9xv7/9xv7.dat

Catalytic domain of N1356

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