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9tb6

Crystal structure of the MpPYL1-HAB1 complex

Method: X-RAY DIFFRACTION D_max: 102.0 Å Quality: GOOD

SAXS Profile

P(r) Distribution

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1. Structure Basics

entry_id	9tb6
deposition_date	2025-11-19
last_revision	2026-05-06
title	Crystal structure of the MpPYL1-HAB1 complex
keywords	ABA receptor, inhibitory binary 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	27.42 Å
rg_electron	26.98 Å
i0	54859200.00
molecular_weight	56280.0 kDa
excluded_volume	69849 Å³
envelope_volume	84908 Å³
shell_volume	27297 Å³
envelope_diameter	104.5 Å
shell_rg	33.03 Å
envelope_rg	27.69 Å
shape_rg	26.97 Å
total_rg	27.61 Å
total_atoms	3943
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	102.0 Å
rg_real	27.61 Å
rg_real_error	1.07 Å
i0_real	5.4860e+07
i0_real_error	8.8420e+05
rg_reciprocal	27.55 Å
i0_reciprocal	54860000.0000
total_estimate	0.8153
solution_quality	GOOD a GOOD solution
n_peaks	2
r_peak_primary	28.1 Å
skewness	0.521
kurtosis	-0.223
angular_range	— – 0.2900 Å⁻¹
current_alpha	0.0000
highest_alpha	10450000.0000
n_real_points	59
gnom_version	4.1.3
quality_criteria	AN1: 0.000; Oscil: 0.606; Stabil: 1.000; Sysdev: 1.000; Positv: 1.000; Valcen: 0.780; Smooth: 0.997

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4. Crystallography & Experiment

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5. Entities & Polymer Info (5)

Entity 1 polymer

description	PYL1 receptor from Marchantia polymorpha
formula_weight	19966.5 kDa
src_method	man
entity_count	1

Polymer

type	polypeptide(L)
strand_id	A
atom_count	3990

MLAGAERDLVERDLVERHHNQEILEHQCGSTLYQEIDAPVELVWSIVRRFDQPQSYKHFLQSSSLLIGEGAPGSVREVRLVSGLPATNSIERLEVLDDANHVSSFRVLGGGHRLKNYWSVTSLHERVSNGRRKTMVIESYVVDVPEGNSKEDTMVFVDTLVRCNLKSLTTVAEQTVL

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	36900.4 kDa
ec_number	3.1.3.16
src_method	man
entity_count	1

Polymer

type	polypeptide(L)
strand_id	B

RSVYLDCIPLWGVVSIQGNRSEMEDAFAVSPHFLKLPIKMLMGDHEGMSPSLTHLTGHFFGVYDGHGGHKVADYCRDRLHFALAEEIERIKDELCKRNTGEGRQVQWDKVFTSCFLTVDGEIEGKIGRAVVGSSDKVLEAVASETVGSTAVVALVCSSHIVVSNCGDSRAVLFRGKEAMPLSVDHKPDREDEYARIENAGGKVIQWQGARVFGVLAMSRSIGDRYLKPYVIPEPEVTFMPRSREDECLILASDGLWDVMNNQEVCEIARRRILMWHKKNGAPPLAERGKGIDPACQAAADYLSMLALQKGSKDNISIIVIDLKAQRKFKTRT

Source

organism	Arabidopsis thaliana
common_name	thale cress
ncbi_taxonomy_id	3702
host_organism	Escherichia coli

Entity 3 non-polymer

description	MANGANESE (II) ION
formula_weight	54.9 kDa
src_method	syn
entity_count	2

Entity 4 non-polymer

description	CHLORIDE ION
formula_weight	35.5 kDa
src_method	syn
entity_count	2

Entity 5 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	69.124 Å
length_b	71.515 Å
length_c	103.592 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	—

resolution	2.390 Å
resolution_low	58.850 Å
r_factor	0.2004
r_work	0.1973
r_free	0.2583

fit	/app/data/saxs_computation/tb/9tb6/9tb6.fit
pddf	/app/data/pr_computation/tb/9tb6/9tb6.pr.out
profile	/app/data/saxs_computation/tb/9tb6/9tb6.dat

Crystal structure of the MpPYL1-HAB1 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 (5)

Entity 1 polymer

Polymer

Source

Entity 2 polymer

Polymer

Source

Entity 3 non-polymer

Entity 4 non-polymer

Entity 5 water

6. Citations (1)

7. Files & Curves (10)

Files (7)

Curves (3)