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9qk3

X-ray crystal structure of SlPYL1-Coumaric Acid complex

Method: X-RAY DIFFRACTION D_max: 60.0 Å Quality: GOOD

SAXS Profile

P(r) Distribution

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1. Structure Basics

entry_id	9qk3
deposition_date	2025-03-19
last_revision	2025-07-02
title	X-ray crystal structure of SlPYL1-Coumaric Acid complex
keywords	ABA receptor, SlPYL1, Coumaric Acid, PLANT PROTEIN; PLANT PROTEIN
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	17.92 Å
rg_electron	16.63 Å
i0	9044660.00
molecular_weight	21772.0 kDa
excluded_volume	27100 Å³
envelope_volume	31491 Å³
shell_volume	15953 Å³
envelope_diameter	58.1 Å
shell_rg	22.75 Å
envelope_rg	17.13 Å
shape_rg	16.62 Å
total_rg	17.66 Å
total_atoms	1541
n_residues	193
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	60.0 Å
rg_real	17.83 Å
rg_real_error	0.28 Å
i0_real	9.0450e+06
i0_real_error	1.0660e+05
rg_reciprocal	17.84 Å
i0_reciprocal	9045000.0000
total_estimate	0.8792
solution_quality	GOOD a GOOD solution
n_peaks	1
r_peak_primary	21.9 Å
skewness	0.223
kurtosis	-0.330
angular_range	— – 0.4450 Å⁻¹
current_alpha	0.0001
highest_alpha	2025000.0000
n_real_points	75
gnom_version	4.1.3
quality_criteria	AN1: 0.000; Oscil: 0.811; Stabil: 1.000; Sysdev: 1.000; Positv: 1.000; Valcen: 1.000; Smooth: 0.993

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4. Crystallography & Experiment

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5. Entities & Polymer Info (4)

Entity 1 polymer

description	SlPYL1-NIO
formula_weight	25738.4 kDa
src_method	man
entity_count	1

Polymer

type	polypeptide(L)
strand_id	A
atom_count	1609

MDNKPETSLDNPVHQRSEPGSETGSSLSTITTHHLTVPPGLTPEEFQELSSSIAEFHSYRINPGQCSSLLAQRIHAPVETVWTVVRRFDKPQTYKHFIKSCSVGEDFRMTVGSTRDVTVISGLPAATSTERLDILDDDRHVTGFSIIGGEHRLRNYRSVTTVHGFERDGEIWTVVLESYVVDVPEGNTEEDTRLFADTVVKLNLQKLASVTETLAREAGNGSVNSRDASHRS

Source

organism	Solanum lycopersicum
common_name	tomato
ncbi_taxonomy_id	4081
host_organism	Escherichia coli BL21(DE3)

Entity 2 non-polymer

description	;4'-HYDROXYCINNAMIC ACID ;
formula_weight	164.2 kDa
src_method	syn
entity_count	1

Entity 3 non-polymer

description	DIMETHYL SULFOXIDE
formula_weight	78.1 kDa
src_method	syn
entity_count	1

Entity 4 water

description	water
formula_weight	18.0 kDa
src_method	nat
entity_count	68

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6. Citations (1)

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length_a	89.869 Å
length_b	89.869 Å
length_c	51.621 Å
angle_alpha	90.00 °
angle_beta	90.00 °
angle_gamma	120.00 °
z_pdb	6

space_group	P 32 2 1
int_tables_number	154
crystal_system	trigonal

resolution	1.650 Å
resolution_low	44.930 Å
r_factor	0.2250
r_work	0.2239
r_free	0.2466

fit	/app/data/saxs_computation/qk/9qk3/9qk3.fit
pddf	/app/data/pr_computation/qk/9qk3/9qk3.pr.out
profile	/app/data/saxs_computation/qk/9qk3/9qk3.dat

X-ray crystal structure of SlPYL1-Coumaric Acid complex

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