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9qv8

Polyester Hydrolase Leipzig 7 (PHL7) variant R2M2-A186S

Method: X-RAY DIFFRACTION D_max: 78.1 Å Quality: GOOD

SAXS Profile

P(r) Distribution

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1. Structure Basics

entry_id	9qv8
deposition_date	2025-04-11
last_revision	2026-05-27
title	Polyester Hydrolase Leipzig 7 (PHL7) variant R2M2-A186S
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	24.44 Å
rg_electron	23.61 Å
i0	54907100.00
molecular_weight	56371.0 kDa
excluded_volume	69900 Å³
envelope_volume	79408 Å³
shell_volume	27850 Å³
envelope_diameter	80.8 Å
shell_rg	30.83 Å
envelope_rg	23.57 Å
shape_rg	23.61 Å
total_rg	24.37 Å
total_atoms	7810
n_residues	522
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	78.1 Å
rg_real	24.38 Å
rg_real_error	0.45 Å
i0_real	5.4910e+07
i0_real_error	7.4810e+05
rg_reciprocal	24.40 Å
i0_reciprocal	54910000.0000
total_estimate	0.8964
solution_quality	GOOD a GOOD solution
n_peaks	2
r_peak_primary	28.5 Å
skewness	0.295
kurtosis	-0.435
angular_range	— – 0.3250 Å⁻¹
current_alpha	0.0000
highest_alpha	10610000.0000
n_real_points	64
gnom_version	4.1.3
quality_criteria	AN1: 0.000; Oscil: 0.896; Stabil: 1.000; Sysdev: 1.000; Positv: 1.000; Valcen: 0.996; Smooth: 0.965

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4. Crystallography & Experiment

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5. Entities & Polymer Info (3)

Entity 1 polymer

description	Polyester Hydrolase Leipzig 7 (PHL-7), catalysis-deficient S131A mutant
formula_weight	28884.2 kDa
mutation	;E6Q, Q34D, D36S, E68S, T91S, Q104L, H109Y, R111T, N113D, V115T, N118D, A131S, T145P, E148K, P155G, N161D, T167V, V171I, A186S, D196S, D198P, S208D, D216N, L235T, F248P ;
src_method	man
entity_count	2

Polymer

type	polypeptide(L)
strand_id	A,B
atom_count	8775

MANPYQRGPDPTESSIEAVRGPFAVAQTTVSRLDASGFGGGTIYYPTDTSQGTFGAVAISPGFTAGQSSIAWLGPRIASQGFVVITIDTISRLDQPDSRGRQLLAALDYLTTDSTVRDRIDPNRMAVMGHSMGGGGALSAAANNPSLKAAIPLQPWHTRKDWSSVRVPTLIVGAQLDTIAPVSSHSEAFYNSLPSSLPKAYMELRGADHLVSNTPNTTTAKYSIAWLKRFVDDDTRYEQFLCPAPDDPAISEYRSTCPFLEHHHHHH

Source

organism	compost metagenome
ncbi_taxonomy_id	702656
host_organism	Escherichia coli

Entity 2 non-polymer

description	CITRIC ACID
formula_weight	192.1 kDa
src_method	syn
entity_count	2

Entity 3 water

description	water
formula_weight	18.0 kDa
src_method	nat
entity_count	631

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6. Citations (1)

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length_a	52.104 Å
length_b	73.732 Å
length_c	63.760 Å
angle_alpha	90.00 °
angle_beta	97.20 °
angle_gamma	90.00 °
z_pdb	4

space_group	P 1 21 1
int_tables_number	4
crystal_system	—

resolution	1.250 Å
resolution_low	42.740 Å
r_factor	0.1929
r_work	0.1925
r_free	0.2240

fit	/app/data/saxs_computation/qv/9qv8/9qv8.fit
pddf	/app/data/pr_computation/qv/9qv8/9qv8.pr.out
profile	/app/data/saxs_computation/qv/9qv8/9qv8.dat

Polyester Hydrolase Leipzig 7 (PHL7) variant R2M2-A186S

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