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Crystal Structure of the Poly(Hexamethylene Adipamide) (Nylon66) Hydrolase Nyl50 Acylenzyme Complex at Room Temperature

Method: X-RAY DIFFRACTION D_max: 89.5 Å Quality: GOOD

SAXS Profile

P(r) Distribution

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1. Structure Basics

entry_id	9z0z
deposition_date	2025-11-03
last_revision	2026-06-03
title	Crystal Structure of the Poly(Hexamethylene Adipamide) (Nylon66) Hydrolase Nyl50 Acylenzyme Complex at Room Temperature
keywords	Nylon hydrolase, Ntn-hydrolase, Nylon-66, acylenzyme, 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	24.84 Å
rg_electron	24.01 Å
i0	126514000.00
molecular_weight	58156.0 kDa
excluded_volume	55496 Å³
envelope_volume	90405 Å³
shell_volume	30635 Å³
envelope_diameter	87.5 Å
shell_rg	32.04 Å
envelope_rg	24.34 Å
shape_rg	23.98 Å
total_rg	24.65 Å
total_atoms	4378
n_residues	605
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	89.5 Å
rg_real	24.74 Å
rg_real_error	0.69 Å
i0_real	1.2650e+08
i0_real_error	1.8280e+06
rg_reciprocal	24.77 Å
i0_reciprocal	126500000.0000
total_estimate	0.8492
solution_quality	GOOD a GOOD solution
n_peaks	1
r_peak_primary	29.8 Å
skewness	0.266
kurtosis	-0.366
angular_range	— – 0.3200 Å⁻¹
current_alpha	0.0000
highest_alpha	23260000.0000
n_real_points	64
gnom_version	4.1.3
quality_criteria	AN1: 0.000; Oscil: 0.699; Stabil: 1.000; Sysdev: 1.000; Positv: 1.000; Valcen: 0.938; Smooth: 0.999

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4. Crystallography & Experiment

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5. Entities & Polymer Info (3)

Entity 1 polymer

description	Poly(hexamethylene adipamide) hydrolase
formula_weight	31410.9 kDa
ec_number	3.5.1.117
src_method	man
entity_count	2

Polymer

type	polypeptide(L)
strand_id	A,B
atom_count	4407

MLTDIDGIRVGHATDARAMTGCTIAVFDEPVVPGVDVRGANAATIYTDLLYPDSVMPSVTGIMLTGGSAFGLEAALGAVRYFEEQGRGYDVGVAKIPLVPAAVIYDLSVGDANVRPDLAMGRRACEAAKPGPFERGRVGGGTGATVGKLYGVRQSSPGGLGTATVSLYGGIKVSAMIVVNSFGDLRDTAGRIVAGAKYEGGEFADTYARMKLGDKNQSALARMGMNTTIGIVSTNCRLTKVEASRMATLAHNGLARAICPIHTNVDGDTIFATGLQKSDLTAPVDLLGTAAAEAAMLACLDAVMQ

Source

organism	Alphaproteobacteria bacterium
ncbi_taxonomy_id	1913988
host_organism	Escherichia coli BL21(DE3)

Entity 2 non-polymer

description	N-(6-aminohexyl)-6-oxohexanamide
formula_weight	244.3 kDa
src_method	syn
entity_count	2

Entity 3 non-polymer

description	SODIUM ION
formula_weight	23.0 kDa
src_method	syn
entity_count	2

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6. Citations (1)

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length_a	53.810 Å
length_b	96.446 Å
length_c	104.663 Å
angle_alpha	90.00 °
angle_beta	90.00 °
angle_gamma	90.00 °
z_pdb	8

space_group	P 2 21 21
int_tables_number	18
crystal_system	—

resolution	3.100 Å
resolution_low	27.390 Å
r_factor	0.1468
r_work	0.1428
r_free	0.2184

fit	/app/data/saxs_computation/z0/9z0z/9z0z.fit
pddf	/app/data/pr_computation/z0/9z0z/9z0z.pr.out
profile	/app/data/saxs_computation/z0/9z0z/9z0z.dat

Crystal Structure of the Poly(Hexamethylene Adipamide) (Nylon66) Hydrolase Nyl50 Acylenzyme Complex at Room Temperature

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