← Back to search

9qyc

Polyester Hydrolase Leipzig 7 (PHL7) variant R4M12

Method: X-RAY DIFFRACTION D_max: 53.3 Å Quality: EXCELLENT

SAXS Profile

P(r) Distribution

▼

1. Structure Basics

entry_id	9qyc
deposition_date	2025-04-17
last_revision	2026-05-27
title	Polyester Hydrolase Leipzig 7 (PHL7) variant R4M12
keywords	PET hydrolase, enzymatic plastic degradation, enzyme engineering, Polyester Hydrolase Leipzig 7, HYDROLASE; HYDROLASE
method	X-RAY DIFFRACTION

▼

Download Data

SAXS curve (.dat) P(r) distribution (.pr.out) Structure (CIF)

▼

2. SAXS Parameters (CRYSOL)

rg_guinier	17.92 Å
rg_electron	16.66 Å
i0	14883400.00
molecular_weight	28259.0 kDa
excluded_volume	34950 Å³
envelope_volume	37821 Å³
shell_volume	18438 Å³
envelope_diameter	55.7 Å
shell_rg	23.42 Å
envelope_rg	16.91 Å
shape_rg	16.66 Å
total_rg	17.61 Å
total_atoms	3899
n_residues	261
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

▼

3. P(r) Analysis (GNOM)

dmax	53.3 Å
rg_real	17.74 Å
rg_real_error	0.20 Å
i0_real	1.4880e+07
i0_real_error	1.7050e+05
rg_reciprocal	17.77 Å
i0_reciprocal	14880000.0000
total_estimate	0.9012
solution_quality	EXCELLENT a EXCELLENT solution
n_peaks	2
r_peak_primary	24.5 Å
skewness	0.023
kurtosis	-0.523
angular_range	— – 0.4450 Å⁻¹
current_alpha	0.0000
highest_alpha	6028000.0000
n_real_points	75
gnom_version	4.1.3
quality_criteria	AN1: 0.000; Oscil: 0.925; Stabil: 1.000; Sysdev: 1.000; Positv: 1.000; Valcen: 0.972; Smooth: 0.963

▶

4. Crystallography & Experiment

▶

5. Entities & Polymer Info (3)

Entity 1 polymer

description	Polyester Hydrolase Leipzig 7 (PHL7) variant R4M12
formula_weight	28246.4 kDa
mutation	;E6Q, Q34D, D36S, E68S, T91S, L93F, Q95Y, H109Y, R111T, N113D, V115T, N118D, T145P, N161D, T167V, V171I, Q175E, D196S, D198P, L210T, D215N, D233K, L235T, F248 ;
src_method	man
entity_count	1

Polymer

type	polypeptide(L)
strand_id	A
atom_count	4600

MANPYQRGPDPTESSIEAVRGPFAVAQTTVSRLDASGFGGGTIYYPTDTSQGTFGAVAISPGFTAGQSSIAWLGPRIASQGFVVITIDTISRFDYPDSRGRQLQAALDYLTTDSTVRDRIDPNRMAVMGHSMGGGGALSAAANNPSLEAAIPLQGWHTRKDWSSVRVPTLIVGAELDTIAPVSSHSEAFYNSLPSSLPKAYMELRGASHTVSNTPNTTTAKYSIAWLKRFVDKDTRYEQFLCPAPDDPAISEYRSTCPFHHH

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	1

Entity 3 water

description	water
formula_weight	18.0 kDa
src_method	nat
entity_count	389

▶

6. Citations (1)

▶

length_a	74.772 Å
length_b	74.772 Å
length_c	106.823 Å
angle_alpha	90.00 °
angle_beta	90.00 °
angle_gamma	90.00 °
z_pdb	8

space_group	P 41 21 2
int_tables_number	92
crystal_system	—

resolution	1.160 Å
resolution_low	32.150 Å
r_factor	0.1214
r_work	0.1208
r_free	0.1483

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

Polyester Hydrolase Leipzig 7 (PHL7) variant R4M12

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