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9z11

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

Method: X-RAY DIFFRACTION D_max: 84.7 Å Quality: REASONABLE

SAXS Profile

P(r) Distribution

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1. Structure Basics

entry_id	9z11
deposition_date	2025-11-03
last_revision	2026-06-03
title	Crystal Structure of the Poly(Hexamethylene Adipamide) (Nylon66) Hydrolase Nyl50 in Complex with Butyrate at Room Temperature
keywords	Nylon hydrolase, Ntn-hydrolase, 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	25.17 Å
rg_electron	24.10 Å
i0	64373100.00
molecular_weight	61604.0 kDa
excluded_volume	76761 Å³
envelope_volume	89557 Å³
shell_volume	30382 Å³
envelope_diameter	88.1 Å
shell_rg	32.03 Å
envelope_rg	24.37 Å
shape_rg	24.09 Å
total_rg	24.94 Å
total_atoms	4310
n_residues	599
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	84.7 Å
rg_real	25.09 Å
rg_real_error	0.50 Å
i0_real	6.4370e+07
i0_real_error	8.9820e+05
rg_reciprocal	25.12 Å
i0_reciprocal	64370000.0000
total_estimate	0.7085
solution_quality	REASONABLE a REASONABLE solution
n_peaks	2
r_peak_primary	29.6 Å
skewness	0.252
kurtosis	-0.371
angular_range	— – 0.3150 Å⁻¹
current_alpha	0.0000
highest_alpha	11770000.0000
n_real_points	64
gnom_version	4.1.3
quality_criteria	AN1: 0.000; Oscil: 0.831; Stabil: 1.000; Sysdev: 0.242; Positv: 1.000; Valcen: 0.990; Smooth: 0.998

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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	3.5.117
src_method	man
entity_count	2

Polymer

type	polypeptide(L)
strand_id	A,B
atom_count	4400

MLTDIDGIRVGHATDARAMTGCTIAVFDEPVVPGVDVRGANAATIYTDLLYPDSVMPSVTGIMLTGGSAFGLEAALGAVRYFEEQGRGYDVGVAKIPLVPAAVIYDLSVGDANVRPDLAMGRRACEAAKPGPFERGRVGGGTGATVGKLYGVRQSSPGGLGTATVSLYGGIKVSAMIVVNSFGDLRDTAGRIVAGAKYEGGEFADTYARMKLGDKNQSALARMGMNTTIGIVSTNCRLTKVEASRMATLAHNGLARAICPIHTNVDGDTIFATGLQKSDLTAPVDLLGTAAAEAAMLACLDAVMQ

Source

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

Entity 2 non-polymer

description	butanoic acid
formula_weight	88.1 kDa
src_method	syn
entity_count	2

Entity 3 water

description	water
formula_weight	18.0 kDa
src_method	nat
entity_count	71

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6. Citations (1)

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length_a	53.881 Å
length_b	96.478 Å
length_c	105.464 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	2.000 Å
resolution_low	28.410 Å
r_factor	0.1705
r_work	0.1680
r_free	0.2169

fit	/app/data/saxs_computation/z1/9z11/9z11.fit
pddf	/app/data/pr_computation/z1/9z11/9z11.pr.out
profile	/app/data/saxs_computation/z1/9z11/9z11.dat

Crystal Structure of the Poly(Hexamethylene Adipamide) (Nylon66) Hydrolase Nyl50 in Complex with Butyrate 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