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9v14

crystal structure of the enzyme-product complex of L-azetidine-2-carboxylate hydrolase

Method: X-RAY DIFFRACTION D_max: 65.1 Å Quality: REASONABLE

SAXS Profile

P(r) Distribution

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1. Structure Basics

entry_id	9v14
deposition_date	2025-05-19
last_revision	2025-06-04
title	crystal structure of the enzyme-product complex of L-azetidine-2-carboxylate hydrolase
keywords	azetidine-2-carboxylate, alpha/beta hydrolase, dehalogenase-like, 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	18.73 Å
rg_electron	17.72 Å
i0	13588100.00
molecular_weight	27637.0 kDa
excluded_volume	34563 Å³
envelope_volume	38246 Å³
shell_volume	18109 Å³
envelope_diameter	66.1 Å
shell_rg	23.95 Å
envelope_rg	18.16 Å
shape_rg	17.68 Å
total_rg	18.75 Å
total_atoms	3056
n_residues	240
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	65.1 Å
rg_real	18.69 Å
rg_real_error	0.43 Å
i0_real	1.3590e+07
i0_real_error	1.6970e+05
rg_reciprocal	18.70 Å
i0_reciprocal	13590000.0000
total_estimate	0.6634
solution_quality	REASONABLE a REASONABLE solution
n_peaks	2
r_peak_primary	22.3 Å
skewness	0.388
kurtosis	-0.048
angular_range	— – 0.4250 Å⁻¹
current_alpha	0.0000
highest_alpha	4515000.0000
n_real_points	74
gnom_version	4.1.3
quality_criteria	AN1: 0.000; Oscil: 0.694; Stabil: 1.000; Sysdev: 0.197; Positv: 1.000; Valcen: 0.991; Smooth: 0.956

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4. Crystallography & Experiment

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5. Entities & Polymer Info (8)

Entity 1 polymer

description	L-azetidine-2-carboxylate hydrolase
formula_weight	27146.6 kDa
ec_number	3.8.1.2
src_method	man
entity_count	1

Polymer

type	polypeptide(L)
strand_id	A
atom_count	3952

MQLTDFKALTFDCYGTLIDWETGIVNALQPLAKRTGKTFTSDELLEVFGRNESPQQTETPGALYQDILRAVYDRIAKEWGLEPDAAEREEFGTSVKNWPAFPDTVEALQYLKKHYKLVILSNIDRNEFKLSNAKLGVEFDHIITAQDVGSYKPNPNNFTYMIDALAKAGIEKKDILHTAESLYHDHIPANDAGLVSAWIYRRHGKEGYGATHVPSRMPNVDFRFNSMGEMAEAHKQALKG

Source

organism	Pseudomonas sp. A2C
ncbi_taxonomy_id	533317
host_organism	Escherichia coli

Entity 2 non-polymer

description	4-AMINO-2-HYDROXYBUTANOIC ACID
formula_weight	119.1 kDa
src_method	syn
entity_count	1

Entity 3 non-polymer

description	IMIDAZOLE
formula_weight	69.1 kDa
src_method	syn
entity_count	1

Entity 4 non-polymer

description	FORMIC ACID
formula_weight	46.0 kDa
src_method	syn
entity_count	1

Entity 5 non-polymer

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

Entity 6 non-polymer

description	DI(HYDROXYETHYL)ETHER
formula_weight	106.1 kDa
src_method	nat
entity_count	2

Entity 7 non-polymer

description	MAGNESIUM ION
formula_weight	24.3 kDa
src_method	syn
entity_count	1

Entity 8 water

description	water
formula_weight	18.0 kDa
src_method	nat
entity_count	546

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6. Citations (1)

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length_a	47.347 Å
length_b	71.353 Å
length_c	72.406 Å
angle_alpha	90.00 °
angle_beta	90.00 °
angle_gamma	90.00 °
z_pdb	4

space_group	P 21 21 21
int_tables_number	19
crystal_system	—

resolution	0.930 Å
resolution_low	10.000 Å
r_factor	—
r_work	0.1161
r_free	0.1403

fit	/app/data/saxs_computation/v1/9v14/9v14.fit
pddf	/app/data/pr_computation/v1/9v14/9v14.pr.out
profile	/app/data/saxs_computation/v1/9v14/9v14.dat