CaPETaseM9 SEC loop of 12CL variant

Method: X-RAY DIFFRACTION D_max: 90.3 Å Quality: GOOD

SAXS Profile

P(r) Distribution

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1. Structure Basics

entry_id	9um7
deposition_date	2025-04-21
last_revision	2026-04-29
title	CaPETaseM9 SEC loop of 12CL 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	26.94 Å
rg_electron	26.03 Å
i0	55226900.00
molecular_weight	57071.0 kDa
excluded_volume	70937 Å³
envelope_volume	80296 Å³
shell_volume	26348 Å³
envelope_diameter	94.2 Å
shell_rg	32.62 Å
envelope_rg	26.27 Å
shape_rg	26.02 Å
total_rg	26.75 Å
total_atoms	4041
n_residues	524
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	90.3 Å
rg_real	27.05 Å
rg_real_error	0.60 Å
i0_real	5.5230e+07
i0_real_error	7.4240e+05
rg_reciprocal	27.02 Å
i0_reciprocal	55230000.0000
total_estimate	0.8593
solution_quality	GOOD a GOOD solution
n_peaks	2
r_peak_primary	27.5 Å
skewness	0.420
kurtosis	-0.508
angular_range	— – 0.2950 Å⁻¹
current_alpha	0.0000
highest_alpha	11400000.0000
n_real_points	60
gnom_version	4.1.3
quality_criteria	AN1: 0.000; Oscil: 0.774; Stabil: 1.000; Sysdev: 1.000; Positv: 1.000; Valcen: 0.861; Smooth: 0.985

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4. Crystallography & Experiment

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5. Entities & Polymer Info (3)

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6. Citations (1)

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length_a	77.952 Å
length_b	77.952 Å
length_c	350.627 Å
angle_alpha	90.00 °
angle_beta	90.00 °
angle_gamma	120.00 °
z_pdb	24

space_group	P 61 2 2
int_tables_number	178
crystal_system	—

resolution	1.260 Å
resolution_low	48.680 Å
r_factor	0.1656
r_work	0.1646
r_free	0.1843

description	Cutinase
formula_weight	28806.3 kDa
src_method	man
entity_count	2

type	polypeptide(L)
strand_id	A,B
atom_count	4401

CaPETaseM9 SEC loop of 12CL 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 (3)

Entity 1 polymer

Polymer

Source

Entity 2 non-polymer

Entity 3 water

6. Citations (1)

7. Files & Curves (10)

Files (7)

Curves (3)

organism	Cryptosporangium aurantiacum
ncbi_taxonomy_id	134849
host_organism	Escherichia coli

description	1,2-ETHANEDIOL
formula_weight	62.1 kDa
src_method	syn
entity_count	6

description	water
formula_weight	18.0 kDa
src_method	nat
entity_count	360

fit	/app/data/saxs_computation/um/9um7/9um7.fit
pddf	/app/data/pr_computation/um/9um7/9um7.pr.out
profile	/app/data/saxs_computation/um/9um7/9um7.dat