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9tb5

Crystal structure of the MpPYL1-ABA-HAB1 ternary complex

Method: X-RAY DIFFRACTION D_max: 99.7 Å Quality: GOOD

SAXS Profile

P(r) Distribution

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1. Structure Basics

entry_id	9tb5
deposition_date	2025-11-19
last_revision	2026-05-06
title	Crystal structure of the MpPYL1-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	27.64 Å
rg_electron	27.18 Å
i0	54999600.00
molecular_weight	56509.0 kDa
excluded_volume	70214 Å³
envelope_volume	86180 Å³
shell_volume	27542 Å³
envelope_diameter	104.5 Å
shell_rg	33.16 Å
envelope_rg	27.79 Å
shape_rg	27.18 Å
total_rg	27.80 Å
total_atoms	3980
n_residues	506
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	99.7 Å
rg_real	27.83 Å
rg_real_error	0.92 Å
i0_real	5.5000e+07
i0_real_error	9.8350e+05
rg_reciprocal	27.77 Å
i0_reciprocal	55000000.0000
total_estimate	0.7562
solution_quality	GOOD a GOOD solution
n_peaks	1
r_peak_primary	97.9 Å
skewness	0.519
kurtosis	-0.229
angular_range	— – 0.2850 Å⁻¹
current_alpha	0.0000
highest_alpha	10360000.0000
n_real_points	58
gnom_version	4.1.3
quality_criteria	AN1: 0.000; Oscil: 0.673; Stabil: 1.000; Sysdev: 1.000; Positv: 1.000; Valcen: 0.808; Smooth: 0.000

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4. Crystallography & Experiment

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5. Entities & Polymer Info (6)

Entity 1 polymer

description	MpPYL1 receptor
formula_weight	21399.1 kDa
src_method	man
entity_count	1

Polymer

type	polypeptide(L)
strand_id	A
atom_count	4027

MLAGAERDLVERDLVERHHNQEILEHQCGSTLYQEIDAPVELVWSIVRRFDQPQSYKHFLQSSSLLIGEGAPGSVREVRLVSGLPATNSIERLEVLDDANHVSSFRVLGGGHRLKNYWSVTSLHERVSNGRRKTMVIESYVVDVPEGNSKEDTMVFVDTLVRCNLKSLTTVAEQTVLQTTTSNLKIKSEV

Source

organism	Marchantia polymorpha
common_name	common liverwort
ncbi_taxonomy_id	3197
host_organism	Escherichia coli

Entity 2 polymer

description	Protein phosphatase 2C 16
formula_weight	37057.6 kDa
ec_number	3.1.3.16
src_method	man
entity_count	1

Polymer

type	polypeptide(L)
strand_id	B

RRSVYLDCIPLWGVVSIQGNRSEMEDAFAVSPHFLKLPIKMLMGDHEGMSPSLTHLTGHFFGVYDGHGGHKVADYCRDRLHFALAEEIERIKDELCKRNTGEGRQVQWDKVFTSCFLTVDGEIEGKIGRAVVGSSDKVLEAVASETVGSTAVVALVCSSHIVVSNCGDSRAVLFRGKEAMPLSVDHKPDREDEYARIENAGGKVIQWQGARVFGVLAMSRSIGDRYLKPYVIPEPEVTFMPRSREDECLILASDGLWDVMNNQEVCEIARRRILMWHKKNGAPPLAERGKGIDPACQAAADYLSMLALQKGSKDNISIIVIDLKAQRKFKTRT

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	2

Entity 5 non-polymer

description	CHLORIDE ION
formula_weight	35.5 kDa
src_method	syn
entity_count	1

Entity 6 water

description	water
formula_weight	18.0 kDa
src_method	nat
entity_count	47

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6. Citations (1)

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length_a	70.060 Å
length_b	71.997 Å
length_c	103.546 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	1.980 Å
resolution_low	45.180 Å
r_factor	0.2297
r_work	0.2263
r_free	0.2914

fit	/app/data/saxs_computation/tb/9tb5/9tb5.fit
pddf	/app/data/pr_computation/tb/9tb5/9tb5.pr.out
profile	/app/data/saxs_computation/tb/9tb5/9tb5.dat

Crystal structure of the MpPYL1-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)