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9tbb

Crystal structure of the CsPYL1(I91L-V112L-V192L-L195C-K199S)-ABA-HAB1 ternary complex

Method: X-RAY DIFFRACTION D_max: 88.1 Å Quality: GOOD

SAXS Profile

P(r) Distribution

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1. Structure Basics

entry_id	9tbb
deposition_date	2025-11-19
last_revision	2026-05-06
title	Crystal structure of the CsPYL1(I91L-V112L-V192L-L195C-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	26.68 Å
rg_electron	26.14 Å
i0	51246700.00
molecular_weight	54476.0 kDa
excluded_volume	67717 Å³
envelope_volume	81879 Å³
shell_volume	26884 Å³
envelope_diameter	90.3 Å
shell_rg	32.73 Å
envelope_rg	26.58 Å
shape_rg	26.15 Å
total_rg	26.85 Å
total_atoms	3837
n_residues	487
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	88.1 Å
rg_real	26.80 Å
rg_real_error	0.72 Å
i0_real	5.1250e+07
i0_real_error	8.3550e+05
rg_reciprocal	26.77 Å
i0_reciprocal	51250000.0000
total_estimate	0.8652
solution_quality	GOOD a GOOD solution
n_peaks	2
r_peak_primary	28.4 Å
skewness	0.474
kurtosis	-0.326
angular_range	— – 0.2950 Å⁻¹
current_alpha	0.0000
highest_alpha	9325000.0000
n_real_points	60
gnom_version	4.1.3
quality_criteria	AN1: 0.000; Oscil: 0.832; Stabil: 0.999; Sysdev: 1.000; Positv: 1.000; Valcen: 0.904; Smooth: 0.846

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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	23270.7 kDa
mutation	I91L-V112L-V192L-L195C-K199S
src_method	man
entity_count	1

Polymer

type	polypeptide(L)
strand_id	A
atom_count	3975

MDNNKAEADTSSSMADPETRPTYTTHHLAIPSGVTQDEFDELKQSVVEFHTYQLSQNQCSSLLAQRIRAPNDVVWSIVRRFDQPQTYKHFLKSCSVSDNFTMAVGSTRDVNLISGLPAATSTERLDILDDDRQVTGFSIIGGEHRLRNYRSVTSVHGFNRDGAICTVVLESYVVDVPEGNTEEDTRLFADTLVKCNLQSLVSVAESQVI

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	37029.5 kDa
ec_number	3.1.3.16
src_method	man
entity_count	1

Polymer

type	polypeptide(L)
strand_id	B

RSVYELDCIPLWGVVSIQGNRSEMEDAFAVSPHFLKLPIKMLMGDHEGMSPSLTHLTGHFFGVYDGHGGHKVADYCRDRLHFALAEEIERIKDELCKRNTGEGRQVQWDKVFTSCFLTVDGEIEGKIGRAVVGSSDKVLEAVASETVGSTAVVALVCSSHIVVSNCGDSRAVLFRGKEAMPLSVDHKPDREDEYARIENAGGKVIQWQGARVFGVLAMSRSIGDRYLKPYVIPEPEVTFMPRSREDECLILASDGLWDVMNNQEVCEIARRRILMWHKKNGAPPLAERGKGIDPACQAAADYLSMLALQKGSKDNISIIVIDLKAQRKFKTRT

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	GLYCEROL
formula_weight	92.1 kDa
src_method	syn
entity_count	1

Entity 5 non-polymer

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

Entity 6 water

description	water
formula_weight	18.0 kDa
src_method	nat
entity_count	132

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6. Citations (1)

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length_a	43.708 Å
length_b	64.771 Å
length_c	186.872 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	1.910 Å
resolution_low	46.720 Å
r_factor	0.2098
r_work	0.2065
r_free	0.2752

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

Crystal structure of the CsPYL1(I91L-V112L-V192L-L195C-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)