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9z0a

Crystal Structure of the Polycaprolactam (Nylon6) and Poly(Hexamethylene Adipamide) (Nylon66) Hydrolase Nyl12 at Room Temperature

Method: X-RAY DIFFRACTION D_max: 78.8 Å Quality: EXCELLENT

SAXS Profile

P(r) Distribution

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1. Structure Basics

entry_id	9z0a
deposition_date	2025-10-31
last_revision	2026-06-03
title	Crystal Structure of the Polycaprolactam (Nylon6) and Poly(Hexamethylene Adipamide) (Nylon66) Hydrolase Nyl12 at Room Temperature
keywords	Nylon hydrolase, Ntn-hydrolase, Generalist hydrolase, Nylon-6, Nylon-66, 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	25.21 Å
rg_electron	24.18 Å
i0	66314200.00
molecular_weight	66108.0 kDa
excluded_volume	83834 Å³
envelope_volume	98000 Å³
shell_volume	32573 Å³
envelope_diameter	82.2 Å
shell_rg	32.46 Å
envelope_rg	24.43 Å
shape_rg	24.17 Å
total_rg	25.11 Å
total_atoms	4674
n_residues	617
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	78.8 Å
rg_real	25.11 Å
rg_real_error	0.57 Å
i0_real	6.6310e+07
i0_real_error	1.0420e+06
rg_reciprocal	25.14 Å
i0_reciprocal	66320000.0000
total_estimate	0.9021
solution_quality	EXCELLENT a EXCELLENT solution
n_peaks	2
r_peak_primary	30.0 Å
skewness	0.238
kurtosis	-0.423
angular_range	— – 0.3150 Å⁻¹
current_alpha	0.0000
highest_alpha	17870000.0000
n_real_points	64
gnom_version	4.1.3
quality_criteria	AN1: 0.000; Oscil: 0.911; Stabil: 0.999; Sysdev: 1.000; Positv: 1.000; Valcen: 0.998; Smooth: 0.994

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4. Crystallography & Experiment

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5. Entities & Polymer Info (4)

Entity 1 polymer

description	Polycaprolactam (Nylon6) and Poly(Hexamethylene Adipamide) (Nylon66) Hydrolase Nyl12
formula_weight	35143.9 kDa
ec_number	3.5.1.117
src_method	man
entity_count	2

Polymer

type	polypeptide(L)
strand_id	A,B
atom_count	4873

MAASSTDNILHFDFPEVQIGTAINPEGPTGITLFYFPKGVQASVDIQGGSVGTFFTQEKMQQGEAYLDGVAFTGGGILGLEAVAGAVSSLFADQTKNEVQFRRMPLISGAVIFDYTPRQNMIYPDKALGQKAFAALSAGQFVQGRHGAGVSASVGKLLRDGFQLAGQGGAFAQIGKTKIAVFTVVNAVGVILDEKGEVIYGLPKGATKQTLNQQVTELLQQPKKPFWPEPKNTTLTIVITNEKLAPRHLKQLGRQVHHALSQVIHPYATILDGDVLYTVSTRSIESDLYAPGADIESDLNAKFIYLGMVAGELAKQAVWSAVGYSHRP

Source

organism	Gammaproteobacteria bacterium
ncbi_taxonomy_id	1913989
host_organism	Escherichia coli BL21(DE3)

Entity 2 non-polymer

description	TRIETHYLENE GLYCOL
formula_weight	150.2 kDa
src_method	syn
entity_count	1

Entity 3 non-polymer

description	DI(HYDROXYETHYL)ETHER
formula_weight	106.1 kDa
src_method	syn
entity_count	1

Entity 4 water

description	water
formula_weight	18.0 kDa
src_method	nat
entity_count	182

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6. Citations (1)

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length_a	77.593 Å
length_b	79.428 Å
length_c	108.777 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	1.900 Å
resolution_low	29.370 Å
r_factor	0.1533
r_work	0.1510
r_free	0.1958

fit	/app/data/saxs_computation/z0/9z0a/9z0a.fit
pddf	/app/data/pr_computation/z0/9z0a/9z0a.pr.out
profile	/app/data/saxs_computation/z0/9z0a/9z0a.dat

Crystal Structure of the Polycaprolactam (Nylon6) and Poly(Hexamethylene Adipamide) (Nylon66) Hydrolase Nyl12 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