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9qk6

X-ray crystal structure of SlPYL1-FeruloylPhenylalanine complex

Method: X-RAY DIFFRACTION D_max: 63.2 Å Quality: GOOD

SAXS Profile

P(r) Distribution

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1. Structure Basics

entry_id	9qk6
deposition_date	2025-03-19
last_revision	2025-07-02
title	X-ray crystal structure of SlPYL1-FeruloylPhenylalanine complex
keywords	ABA receptor, SlPYL1, Feruloyl Phenylalanine, 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	17.55 Å
rg_electron	16.59 Å
i0	16661900.00
molecular_weight	20427.0 kDa
excluded_volume	19633 Å³
envelope_volume	31461 Å³
shell_volume	15987 Å³
envelope_diameter	58.1 Å
shell_rg	22.59 Å
envelope_rg	17.00 Å
shape_rg	16.54 Å
total_rg	17.40 Å
total_atoms	1554
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	63.2 Å
rg_real	17.46 Å
rg_real_error	0.42 Å
i0_real	1.6660e+07
i0_real_error	2.4100e+05
rg_reciprocal	17.47 Å
i0_reciprocal	16660000.0000
total_estimate	0.7662
solution_quality	GOOD a GOOD solution
n_peaks	2
r_peak_primary	21.9 Å
skewness	0.231
kurtosis	-0.333
angular_range	— – 0.4550 Å⁻¹
current_alpha	0.0000
highest_alpha	3389000.0000
n_real_points	76
gnom_version	4.1.3
quality_criteria	AN1: 0.000; Oscil: 0.666; Stabil: 1.000; Sysdev: 1.000; Positv: 1.000; Valcen: 0.959; Smooth: 0.000

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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	1613

MDNKPETSLDNPVHQRSEPGSETGSSLSTITTHHLTVPPGLTPEEFQELSSSIAEFHSYRINPGQCSSLLAQRIHAPVETVWTVVRRFDKPQTYKHFIKSCSVGEDFRMTVGSTRDVTVISGLPAATSTERLDILDDDRHVTGFSIIGGEHRLRNYRSVTTVHGFERDGEIWTVVLESYVVDVPEGNTEEDTRLFADTVVKLNLQKLASVTETLAREAGNGSVNSRDASHRS

Source

organism	Solanum lycopersicum
common_name	tomato
ncbi_taxonomy_id	4081
host_organism	Escherichia coli

Entity 2 non-polymer

description	(2~{S})-2-[[(~{E})-3-(3-methoxy-4-oxidanyl-phenyl)prop-2-enoyl]amino]-3-phenyl-propanoic acid
formula_weight	341.4 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	59

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6. Citations (1)

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length_a	90.042 Å
length_b	90.042 Å
length_c	50.997 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	1.750 Å
resolution_low	77.980 Å
r_factor	0.2041
r_work	0.2019
r_free	0.2447

fit	/app/data/saxs_computation/qk/9qk6/9qk6.fit
pddf	/app/data/pr_computation/qk/9qk6/9qk6.pr.out
profile	/app/data/saxs_computation/qk/9qk6/9qk6.dat

X-ray crystal structure of SlPYL1-FeruloylPhenylalanine 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