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9xv8

Catalytic domain of N1484 E121S variant

Method: X-RAY DIFFRACTION D_max: 87.2 Å Quality: GOOD

SAXS Profile

P(r) Distribution

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1. Structure Basics

entry_id	9xv8
deposition_date	2025-11-26
last_revision	2026-06-03
title	Catalytic domain of N1484 E121S variant
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	27.42 Å
rg_electron	26.89 Å
i0	51139700.00
molecular_weight	54767.0 kDa
excluded_volume	68065 Å³
envelope_volume	78096 Å³
shell_volume	25186 Å³
envelope_diameter	90.3 Å
shell_rg	32.90 Å
envelope_rg	26.98 Å
shape_rg	26.89 Å
total_rg	27.50 Å
total_atoms	3851
n_residues	513
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	87.2 Å
rg_real	27.63 Å
rg_real_error	0.57 Å
i0_real	5.1140e+07
i0_real_error	6.5240e+05
rg_reciprocal	27.57 Å
i0_reciprocal	51140000.0000
total_estimate	0.8520
solution_quality	GOOD a GOOD solution
n_peaks	2
r_peak_primary	25.5 Å
skewness	0.473
kurtosis	-0.533
angular_range	— – 0.2900 Å⁻¹
current_alpha	0.0000
highest_alpha	13870000.0000
n_real_points	59
gnom_version	4.1.3
quality_criteria	AN1: 0.000; Oscil: 0.794; Stabil: 1.000; Sysdev: 1.000; Positv: 1.000; Valcen: 0.906; Smooth: 0.784

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4. Crystallography & Experiment

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5. Entities & Polymer Info (4)

Entity 1 polymer

description	Lipase
formula_weight	28561.0 kDa
src_method	man
entity_count	2

Polymer

type	polypeptide(L)
strand_id	A,B
atom_count	4579

MADNPYQRGPDPTRTSVTAVNGPFANTSVSVPTGYGFNGGRIYYPTDTSQGTFGAIAISPGYTALFSASLAWMGPWLASHGFVVIGIETNSRNDFDTARGTQLLAALDYLTQQSPVRDRVDPNRLAVAGHSMGGGGALSAAIRRSSLKAVVGIAPYSPSSNLANDRVPTMIFAGQADTVVTPSYATGLYNSLPTTTESVYLEVAGADHGFMVGRSNPVMVRTMLPFVKMFIDNDARYSQFLCPLLDSSGVVTYRSTCPLLEHHHHHH

Source

organism	Micromonospora ureilytica
ncbi_taxonomy_id	709868
host_organism	Escherichia coli

Entity 2 non-polymer

description	SULFATE ION
formula_weight	96.1 kDa
src_method	nat
entity_count	3

Entity 3 non-polymer

description	GLYCEROL
formula_weight	92.1 kDa
src_method	syn
entity_count	1

Entity 4 water

description	water
formula_weight	18.0 kDa
src_method	nat
entity_count	612

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6. Citations (1)

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length_a	34.463 Å
length_b	43.941 Å
length_c	84.151 Å
angle_alpha	89.97 °
angle_beta	90.02 °
angle_gamma	87.80 °
z_pdb	2

space_group	P 1
int_tables_number	1
crystal_system	—

resolution	1.640 Å
resolution_low	28.050 Å
r_factor	0.1739
r_work	0.1713
r_free	0.2252

fit	/app/data/saxs_computation/xv/9xv8/9xv8.fit
pddf	/app/data/pr_computation/xv/9xv8/9xv8.pr.out
profile	/app/data/saxs_computation/xv/9xv8/9xv8.dat

Catalytic domain of N1484 E121S variant

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