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9qya

Polyester Hydrolase Leipzig 7 (PHL7) variant R4M6

Method: X-RAY DIFFRACTION D_max: 54.0 Å Quality: GOOD

SAXS Profile

P(r) Distribution

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1. Structure Basics

entry_id	9qya
deposition_date	2025-04-17
last_revision	2026-05-27
title	Polyester Hydrolase Leipzig 7 (PHL7) variant R4M6
keywords	PET hydrolase, enzymatic plastic degradation, enzyme engineering, Polyester Hydrolase Leipzig 7, 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	17.84 Å
rg_electron	16.56 Å
i0	14264300.00
molecular_weight	27644.0 kDa
excluded_volume	34202 Å³
envelope_volume	36731 Å³
shell_volume	18072 Å³
envelope_diameter	55.7 Å
shell_rg	23.25 Å
envelope_rg	16.80 Å
shape_rg	16.55 Å
total_rg	17.55 Å
total_atoms	3824
n_residues	258
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	54.0 Å
rg_real	17.67 Å
rg_real_error	0.21 Å
i0_real	1.4260e+07
i0_real_error	1.6970e+05
rg_reciprocal	17.69 Å
i0_reciprocal	14260000.0000
total_estimate	0.8987
solution_quality	GOOD a GOOD solution
n_peaks	2
r_peak_primary	24.1 Å
skewness	0.031
kurtosis	-0.518
angular_range	— – 0.4450 Å⁻¹
current_alpha	0.0000
highest_alpha	4541000.0000
n_real_points	75
gnom_version	4.1.3
quality_criteria	AN1: 0.000; Oscil: 0.912; Stabil: 1.000; Sysdev: 1.000; Positv: 1.000; Valcen: 0.974; Smooth: 0.967

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4. Crystallography & Experiment

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5. Entities & Polymer Info (3)

Entity 1 polymer

description	Polyester Hydrolase Leipzig 7 (PHL7) variant R4M6
formula_weight	27748.9 kDa
mutation	;E6Q, Q34D, D36S, E68S, T91S, H109Y, R111T, N113D, V115T, N118D, T145P, E148K, N161D, T167V, V171I, Q175E, D196S, D198P, L210T, D215N, L235T, F248P ;
src_method	man
entity_count	1

Polymer

type	polypeptide(L)
strand_id	A
atom_count	4195

MANPYQRGPDPTESSIEAVRGPFAVAQTTVSRLDASGFGGGTIYYPTDTSQGTFGAVAISPGFTAGQSSIAWLGPRIASQGFVVITIDTISRLDQPDSRGRQLQAALDYLTTDSTVRDRIDPNRMAVMGHSMGGGGALSAAANNPSLKAAIPLQGWHTRKDWSSVRVPTLIVGAELDTIAPVSSHSEAFYNSLPSSLPKAYMELRGASHTVSNTPNTTTAKYSIAWLKRFVDDDTRYEQFLCPAPDDPAISEYRSTCPF

Source

organism	compost metagenome
ncbi_taxonomy_id	702656
host_organism	Escherichia coli

Entity 2 non-polymer

description	CHLORIDE ION
formula_weight	35.5 kDa
src_method	syn
entity_count	2

Entity 3 water

description	water
formula_weight	18.0 kDa
src_method	nat
entity_count	273

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6. Citations (1)

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length_a	80.375 Å
length_b	80.375 Å
length_c	137.818 Å
angle_alpha	90.00 °
angle_beta	90.00 °
angle_gamma	120.00 °
z_pdb	12

space_group	P 61 2 2
int_tables_number	178
crystal_system	—

resolution	1.530 Å
resolution_low	62.130 Å
r_factor	0.1595
r_work	0.1570
r_free	0.1945

fit	/app/data/saxs_computation/qy/9qya/9qya.fit
pddf	/app/data/pr_computation/qy/9qya/9qya.pr.out
profile	/app/data/saxs_computation/qy/9qya/9qya.dat

Polyester Hydrolase Leipzig 7 (PHL7) variant R4M6

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