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9s90

Crystal structure of the BRL3 ectodomain from Arabidopsis thaliana in complex with castasterone.

Method: X-RAY DIFFRACTION D_max: 152.4 Å Quality: GOOD

SAXS Profile

P(r) Distribution

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1. Structure Basics

entry_id	9s90
deposition_date	2025-08-05
last_revision	2025-09-03
title	Crystal structure of the BRL3 ectodomain from Arabidopsis thaliana in complex with castasterone.
keywords	receptor kinase, steroid receptor, brassinosteroids, leucine-rich repeat, MEMBRANE PROTEIN; MEMBRANE 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	44.22 Å
rg_electron	43.99 Å
i0	417346000.00
molecular_weight	166410.0 kDa
excluded_volume	207640 Å³
envelope_volume	279510 Å³
shell_volume	54980 Å³
envelope_diameter	148.1 Å
shell_rg	45.83 Å
envelope_rg	43.96 Å
shape_rg	43.92 Å
total_rg	44.33 Å
total_atoms	23148
n_residues	1446
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	152.4 Å
rg_real	44.38 Å
rg_real_error	2.03 Å
i0_real	4.1730e+08
i0_real_error	9.3650e+06
rg_reciprocal	44.22 Å
i0_reciprocal	417300000.0000
total_estimate	0.8017
solution_quality	GOOD a GOOD solution
n_peaks	2
r_peak_primary	55.0 Å
skewness	0.395
kurtosis	-0.405
angular_range	— – 0.1800 Å⁻¹
current_alpha	0.0000
highest_alpha	40990000.0000
n_real_points	37
gnom_version	4.1.3
quality_criteria	AN1: 0.000; Oscil: 0.831; Stabil: 1.000; Sysdev: 1.000; Positv: 1.000; Valcen: 0.925; Smooth: 0.000

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4. Crystallography & Experiment

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5. Entities & Polymer Info (11)

Entity 1 polymer

description	Receptor-like protein kinase BRI1-like 3
formula_weight	83619.5 kDa
ec_number	2.7.10.1,2.7.11.1
src_method	man
entity_count	2

Polymer

type	polypeptide(L)
strand_id	A,B
atom_count	23159

MKQQWQFLILCLLVLFLTVDSRGRRLLSDDVNDTALLTAFKQTSIKSDPTNFLGNWRYGSGRDPCTWRGVSCSSDGRVIGLDLRNGGLTGTLNLNNLTALSNLRSLYLQGNNFSSGDSSSSSGCSLEVLDLSSNSLTDSSIVDYVFSTCLNLVSVNFSHNKLAGKLKSSPSASNKRITTVDLSNNRFSDEIPETFIADFPNSLKHLDLSGNNVTGDFSRLSFGLCENLTVFSLSQNSISGDRFPVSLSNCKLLETLNLSRNSLIGKIPGDDYWGNFQNLRQLSLAHNLYSGEIPPELSLLCRTLEVLDLSGNSLTGQLPQSFTSCGSLQSLNLGNNKLSGDFLSTVVSKLSRITNLYLPFNNISGSVPISLTNCSNLRVLDLSSNEFTGEVPSGFCSLQSSSVLEKLLIANNYLSGTVPVELGKCKSLKTIDLSFNALTGLIPKEIWTLPKLSDLVMWANNLTGGIPESICVDGGNLETLILNNNLLTGSLPESISKCTNMLWISLSSNLLTGEIPVGIGKLEKLAILQLGNNSLTGNIPSELGNCKNLIWLDLNSNNLTGNLPGELASQAGLVMPGSVSGKQFAFVRNEGGTDCRGAGGLVEFEGIRAERLEHFPMVHSCPKTRIYSGMTMYMFSSNGSMIYLDLSYNAVSGSIPLGYGAMGYLQVLNLGHNLLTGTIPDSFGGLKAIGVLDLSHNDLQGFLPGSLGGLSFLSDLDVSNNNLTGPIPFGGQLTTFPLTRYANNSGLCGVPLPPCSSGSRPTRSHAHPKKAAAENLYFQ

Source

organism	Arabidopsis thaliana
common_name	thale cress
ncbi_taxonomy_id	3702
host_organism	Trichoplusia ni

Entity 2 branched

description	2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose
formula_weight	424.4 kDa
src_method	man
entity_count	10

Entity 3 branched

description	;alpha-D-mannopyranose-(1-2)-alpha-D-mannopyranose-(1-2)-alpha-D-mannopyranose-(1-3)-[alpha-D-mannopyranose-(1-2)-alpha-D-mannopyranose-(1-3)-[alpha-D-mannopyranose-(1-2)-alpha-D-mannopyranose-(1-6)]alpha-D-mannopyranose-(1-6)]beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose ;
formula_weight	1883.7 kDa
src_method	man
entity_count	1

Entity 4 branched

description	beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose
formula_weight	586.5 kDa
src_method	man
entity_count	2

Entity 5 branched

description	2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-D-mannopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose
formula_weight	586.5 kDa
src_method	man
entity_count	2

Entity 6 branched

description	;alpha-D-mannopyranose-(1-2)-alpha-D-mannopyranose-(1-3)-[alpha-D-mannopyranose-(1-2)-alpha-D-mannopyranose-(1-6)]alpha-D-mannopyranose-(1-6)-[alpha-D-mannopyranose-(1-2)-alpha-D-mannopyranose-(1-3)]beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose ;
formula_weight	1721.5 kDa
src_method	man
entity_count	1

Entity 7 non-polymer

description	Castasterone
formula_weight	464.7 kDa
src_method	syn
entity_count	2

Entity 8 non-polymer

description	2-acetamido-2-deoxy-beta-D-glucopyranose
formula_weight	221.2 kDa
src_method	syn
entity_count	5

Entity 9 non-polymer

description	SULFATE ION
formula_weight	96.1 kDa
src_method	syn
entity_count	5

Entity 10 non-polymer

description	ACETATE ION
formula_weight	59.0 kDa
src_method	syn
entity_count	2

Entity 11 water

description	water
formula_weight	18.0 kDa
src_method	nat
entity_count	11

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6. Citations (1)

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length_a	62.257 Å
length_b	81.940 Å
length_c	122.476 Å
angle_alpha	107.02 °
angle_beta	91.50 °
angle_gamma	112.53 °
z_pdb	2

space_group	P 1
int_tables_number	1
crystal_system	triclinic

resolution	2.610 Å
resolution_low	49.350 Å
r_factor	0.2251
r_work	0.2233
r_free	0.2576

fit	/app/data/saxs_computation/s9/9s90/9s90.fit
pddf	/app/data/pr_computation/s9/9s90/9s90.pr.out
profile	/app/data/saxs_computation/s9/9s90/9s90.dat