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9s96

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

Method: X-RAY DIFFRACTION D_max: 149.3 Å Quality: GOOD

SAXS Profile

P(r) Distribution

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1. Structure Basics

entry_id	9s96
deposition_date	2025-08-06
title	Crystal structure of the BRL3 ectodomain from Arabidopsis thaliana in complex with typhasterol.
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	44.06 Å
rg_electron	43.83 Å
i0	416983000.00
molecular_weight	166100.0 kDa
excluded_volume	207160 Å³
envelope_volume	279660 Å³
shell_volume	55260 Å³
envelope_diameter	147.0 Å
shell_rg	45.71 Å
envelope_rg	43.81 Å
shape_rg	43.76 Å
total_rg	44.16 Å
total_atoms	23082
n_residues	1435
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	149.3 Å
rg_real	44.22 Å
rg_real_error	1.22 Å
i0_real	4.1700e+08
i0_real_error	7.0030e+06
rg_reciprocal	44.06 Å
i0_reciprocal	416900000.0000
total_estimate	0.8639
solution_quality	GOOD a GOOD solution
n_peaks	1
r_peak_primary	53.9 Å
skewness	0.395
kurtosis	-0.408
angular_range	— – 0.1800 Å⁻¹
current_alpha	0.0001
highest_alpha	44060000.0000
n_real_points	37
gnom_version	4.1.3
quality_criteria	AN1: 0.000; Oscil: 0.858; Stabil: 1.000; Sysdev: 1.000; Positv: 1.000; Valcen: 0.937; Smooth: 0.716

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4. Crystallography & Experiment

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5. Entities & Polymer Info (13)

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	23348

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	12

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	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 5 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-(1-6)-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	1559.4 kDa
src_method	man
entity_count	1

Entity 6 branched

description	alpha-D-mannopyranose-(1-2)-alpha-D-mannopyranose
formula_weight	342.3 kDa
src_method	man
entity_count	1

Entity 7 branched

description	2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose
formula_weight	570.5 kDa
src_method	man
entity_count	1

Entity 8 non-polymer

description	Typhasterol
formula_weight	448.7 kDa
src_method	syn
entity_count	2

Entity 9 non-polymer

description	2-acetamido-2-deoxy-beta-D-glucopyranose
formula_weight	221.2 kDa
src_method	syn
entity_count	4

Entity 10 non-polymer

description	SULFATE ION
formula_weight	96.1 kDa
src_method	syn
entity_count	8

Entity 11 non-polymer

description	TRIETHYLENE GLYCOL
formula_weight	150.2 kDa
src_method	syn
entity_count	2

Entity 12 non-polymer

description	ACETATE ION
formula_weight	59.0 kDa
src_method	syn
entity_count	1

Entity 13 water

description	water
formula_weight	18.0 kDa
src_method	nat
entity_count	234

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6. Citations (1)

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length_a	61.267 Å
length_b	81.848 Å
length_c	122.382 Å
angle_alpha	106.96 °
angle_beta	91.77 °
angle_gamma	112.83 °
z_pdb	2

space_group	P 1
int_tables_number	1
crystal_system	triclinic

resolution	2.310 Å
resolution_low	47.240 Å
r_factor	0.2161
r_work	0.2149
r_free	0.2389

fit	/app/data/saxs_computation/s9/9s96/9s96.fit
pddf	/app/data/pr_computation/s9/9s96/9s96.pr.out
profile	/app/data/saxs_computation/s9/9s96/9s96.dat