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9wlv

The Crystal Structure of Alpha-Beta-fold_hydrolase from Microlunatus sagamiharensis.

Method: X-RAY DIFFRACTION D_max: 85.7 Å Quality: GOOD

SAXS Profile

P(r) Distribution

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1. Structure Basics

entry_id	9wlv
deposition_date	2025-09-02
title	The Crystal Structure of Alpha-Beta-fold_hydrolase from Microlunatus sagamiharensis.
keywords	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	27.21 Å
rg_electron	26.16 Å
i0	66556000.00
molecular_weight	61695.0 kDa
excluded_volume	76341 Å³
envelope_volume	89309 Å³
shell_volume	28837 Å³
envelope_diameter	89.5 Å
shell_rg	33.08 Å
envelope_rg	26.21 Å
shape_rg	26.15 Å
total_rg	26.88 Å
total_atoms	4336
n_residues	580
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	85.7 Å
rg_real	27.29 Å
rg_real_error	0.51 Å
i0_real	6.6560e+07
i0_real_error	8.5780e+05
rg_reciprocal	27.27 Å
i0_reciprocal	66550000.0000
total_estimate	0.8858
solution_quality	GOOD a GOOD solution
n_peaks	2
r_peak_primary	26.6 Å
skewness	0.398
kurtosis	-0.543
angular_range	— – 0.2900 Å⁻¹
current_alpha	0.0000
highest_alpha	60050000.0000
n_real_points	59
gnom_version	4.1.3
quality_criteria	AN1: 0.000; Oscil: 0.871; Stabil: 1.000; Sysdev: 1.000; Positv: 1.000; Valcen: 0.973; Smooth: 0.925

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4. Crystallography & Experiment

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5. Entities & Polymer Info (7)

Entity 1 polymer

description	Pimeloyl-ACP methyl ester carboxylesterase
formula_weight	30211.0 kDa
src_method	man
entity_count	2

Polymer

type	polypeptide(L)
strand_id	AAA,BBB
atom_count	5003

GMTTLRTPDGRSLDVALDGPADGVPLLFHHGTPGSAVPVRAMQRAATARGLRLVTWSRPGYGSSTRRPGRRVVDDADDVTAVLDHLRAERCVVAGWSGGGPHALAGAVRLPDRVAGVLCIAGVAPWDAEGLDLLAGMGEQNVEEFSLAVAGEEGLRPYLEAEAGGLRDADPAGVVAGLSSLLPAVDVAALTDEYGEDMAAGMREALRTGVDGWLDDDLAFVRGWGFAPEDVAVPVSLWQGADDLMVPFAHGRWLAAHLPRVSAHLLEGEGHLSVGLGALDAMLDELVATL

Source

organism	Microlunatus sagamiharensis
ncbi_taxonomy_id	546874
host_organism	Escherichia coli

Entity 2 non-polymer

description	SULFATE ION
formula_weight	96.1 kDa
src_method	syn
entity_count	2

Entity 3 non-polymer

description	CHLORIDE ION
formula_weight	35.5 kDa
src_method	syn
entity_count	1

Entity 4 non-polymer

description	4-HYDROXYPHENYLACETATE
formula_weight	152.1 kDa
src_method	syn
entity_count	2

Entity 5 non-polymer

description	GLYCEROL
formula_weight	92.1 kDa
src_method	nat
entity_count	8

Entity 6 non-polymer

description	(3R)-3-hydroxybutanoic acid
formula_weight	104.1 kDa
src_method	nat
entity_count	1

Entity 7 water

description	water
formula_weight	18.0 kDa
src_method	nat
entity_count	634

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6. Citations (1)

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length_a	125.212 Å
length_b	125.212 Å
length_c	79.730 Å
angle_alpha	90.00 °
angle_beta	90.00 °
angle_gamma	90.00 °
z_pdb	16

space_group	P 41 21 2
int_tables_number	92
crystal_system	—

resolution	1.900 Å
resolution_low	49.288 Å
r_factor	—
r_work	0.1440
r_free	0.1794

fit	/app/data/saxs_computation/wl/9wlv/9wlv.fit
pddf	/app/data/pr_computation/wl/9wlv/9wlv.pr.out
profile	/app/data/saxs_computation/wl/9wlv/9wlv.dat