CaPETaseM9 + P289E variant

Method: X-RAY DIFFRACTION D_max: 80.4 Å Quality: EXCELLENT

SAXS Profile

P(r) Distribution

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1. Structure Basics

entry_id	9um8
deposition_date	2025-04-21
last_revision	2026-04-29
title	CaPETaseM9 + P289E variant
keywords	PETase, Cryptosporangium, aurantiacum, CaPETase, 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	26.03 Å
rg_electron	25.13 Å
i0	53523300.00
molecular_weight	56353.0 kDa
excluded_volume	70158 Å³
envelope_volume	81121 Å³
shell_volume	26995 Å³
envelope_diameter	84.5 Å
shell_rg	32.19 Å
envelope_rg	25.07 Å
shape_rg	25.11 Å
total_rg	25.95 Å
total_atoms	3976
n_residues	523
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	80.4 Å
rg_real	26.03 Å
rg_real_error	0.49 Å
i0_real	5.3520e+07
i0_real_error	7.7090e+05
rg_reciprocal	26.03 Å
i0_reciprocal	53520000.0000
total_estimate	0.9040
solution_quality	EXCELLENT a EXCELLENT solution
n_peaks	1
r_peak_primary	79.1 Å
skewness	0.310
kurtosis	-0.559
angular_range	— – 0.3050 Å⁻¹
current_alpha	0.0000
highest_alpha	7574000.0000
n_real_points	62
gnom_version	4.1.3
quality_criteria	AN1: 0.000; Oscil: 0.939; Stabil: 1.000; Sysdev: 1.000; Positv: 1.000; Valcen: 0.993; Smooth: 0.940

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4. Crystallography & Experiment

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5. Entities & Polymer Info (2)

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6. Citations (1)

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length_a	40.990 Å
length_b	112.019 Å
length_c	113.524 Å
angle_alpha	90.00 °
angle_beta	90.00 °
angle_gamma	90.00 °
z_pdb	8

space_group	P 21 21 21
int_tables_number	19
crystal_system	—

resolution	1.220 Å
resolution_low	33.250 Å
r_factor	0.1761
r_work	0.1753
r_free	0.1908

description	Cutinase
formula_weight	28357.8 kDa
src_method	man
entity_count	2

type	polypeptide(L)
strand_id	A,B
atom_count	4273

CaPETaseM9 + P289E 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

5. Entities & Polymer Info (2)

Entity 1 polymer

Polymer

Source

Entity 2 water

6. Citations (1)

7. Files & Curves (10)

Files (7)

Curves (3)

organism	Cryptosporangium aurantiacum
ncbi_taxonomy_id	134849
host_organism	Escherichia coli

description	water
formula_weight	18.0 kDa
src_method	nat
entity_count	297

fit	/app/data/saxs_computation/um/9um8/9um8.fit
pddf	/app/data/pr_computation/um/9um8/9um8.pr.out
profile	/app/data/saxs_computation/um/9um8/9um8.dat