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9tb9

Crystal structure of the CsPYL1 K199S-ABA-HAB1 ternary complex

Method: X-RAY DIFFRACTION D_max: 91.6 Å Quality: REASONABLE

SAXS Profile

P(r) Distribution

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1. Structure Basics

entry_id	9tb9
deposition_date	2025-11-19
last_revision	2026-05-06
title	Crystal structure of the CsPYL1 K199S-ABA-HAB1 ternary complex
keywords	ABA receptor, inhibitory ternary complex, 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	27.36 Å
rg_electron	26.82 Å
i0	53288800.00
molecular_weight	55459.0 kDa
excluded_volume	68812 Å³
envelope_volume	83327 Å³
shell_volume	26929 Å³
envelope_diameter	95.0 Å
shell_rg	33.02 Å
envelope_rg	27.31 Å
shape_rg	26.82 Å
total_rg	27.47 Å
total_atoms	3904
n_residues	497
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	91.6 Å
rg_real	27.53 Å
rg_real_error	0.71 Å
i0_real	5.3290e+07
i0_real_error	8.0610e+05
rg_reciprocal	27.48 Å
i0_reciprocal	53290000.0000
total_estimate	0.6935
solution_quality	REASONABLE a REASONABLE solution
n_peaks	2
r_peak_primary	28.4 Å
skewness	0.501
kurtosis	-0.299
angular_range	— – 0.2900 Å⁻¹
current_alpha	0.0000
highest_alpha	8885000.0000
n_real_points	59
gnom_version	4.1.3
quality_criteria	AN1: 0.000; Oscil: 0.810; Stabil: 1.000; Sysdev: 0.267; Positv: 1.000; Valcen: 0.931; Smooth: 0.851

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4. Crystallography & Experiment

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5. Entities & Polymer Info (6)

Entity 1 polymer

description	Abscisic acid receptor PYL1
formula_weight	23252.7 kDa
mutation	K199S
src_method	man
entity_count	1

Polymer

type	polypeptide(L)
strand_id	A
atom_count	4075

MDNNKAEADTSSSMADPETRPTYTTHHLAIPSGVTQDEFDELKQSVVEFHTYQLSQNQCSSLLAQRIRAPNDVVWSIVRRFDQPQTYKHFIKSCSVSDNFTMAVGSTRDVNVISGLPAATSTERLDILDDDRQVTGFSIIGGEHRLRNYRSVTSVHGFNRDGAICTVVLESYVVDVPEGNTEEDTRLFADTVVKLNLQSLVSVAESQVI

Source

organism	Citrus sinensis
common_name	sweet orange
ncbi_taxonomy_id	2711
host_organism	Escherichia coli

Entity 2 polymer

description	Protein phosphatase 2C 16
formula_weight	36872.3 kDa
ec_number	3.1.3.16
src_method	man
entity_count	1

Polymer

type	polypeptide(L)
strand_id	B

SVYELDCIPLWGVVSIQGNRSEMEDAFAVSPHFLKLPIKMLMGDHEGMSPSLTHLTGHFFGVYDGHGGHKVADYCRDRLHFALAEEIERIKDELCKRNTGEGRQVQWDKVFTSCFLTVDGEIEGKIGRAVVGSSDKVLEAVASETVGSTAVVALVCSSHIVVSNCGDSRAVLFRGKEAMPLSVDHKPDREDEYARIENAGGKVIQWQGARVFGVLAMSRSIGDRYLKPYVIPEPEVTFMPRSREDECLILASDGLWDVMNNQEVCEIARRRILMWHKKNGAPPLAERGKGIDPACQAAADYLSMLALQKGSKDNISIIVIDLKAQRKFKTRT

Source

organism	Arabidopsis thaliana
common_name	thale cress
ncbi_taxonomy_id	3702
host_organism	Escherichia coli

Entity 3 non-polymer

description	(2Z,4E)-5-[(1S)-1-hydroxy-2,6,6-trimethyl-4-oxocyclohex-2-en-1-yl]-3-methylpenta-2,4-dienoic acid
formula_weight	264.3 kDa
src_method	syn
entity_count	1

Entity 4 non-polymer

description	MANGANESE (II) ION
formula_weight	54.9 kDa
src_method	syn
entity_count	3

Entity 5 non-polymer

description	CHLORIDE ION
formula_weight	35.5 kDa
src_method	syn
entity_count	2

Entity 6 water

description	water
formula_weight	18.0 kDa
src_method	nat
entity_count	171

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6. Citations (1)

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length_a	43.714 Å
length_b	63.546 Å
length_c	187.628 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	orthorhombic

resolution	1.840 Å
resolution_low	44.570 Å
r_factor	0.2516
r_work	0.2492
r_free	0.2979

fit	/app/data/saxs_computation/tb/9tb9/9tb9.fit
pddf	/app/data/pr_computation/tb/9tb9/9tb9.pr.out
profile	/app/data/saxs_computation/tb/9tb9/9tb9.dat

Crystal structure of the CsPYL1 K199S-ABA-HAB1 ternary 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

5. Entities & Polymer Info (6)

Entity 1 polymer

Polymer

Source

Entity 2 polymer

Polymer

Source

Entity 3 non-polymer

Entity 4 non-polymer

Entity 5 non-polymer

Entity 6 water

6. Citations (1)

7. Files & Curves (10)

Files (7)

Curves (3)