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9wbe

Crystal structure of the CHS-CHIL complex

Method: X-RAY DIFFRACTION D_max: 116.8 Å Quality: GOOD

SAXS Profile

P(r) Distribution

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1. Structure Basics

entry_id	9wbe
deposition_date	2025-08-13
title	Crystal structure of the CHS-CHIL complex
keywords	flavonoids biosynthesis, chalcone synthase, chalcone isomerase, CHS complex, TRANSFERASE; TRANSFERASE
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	33.22 Å
rg_electron	32.43 Å
i0	261014000.00
molecular_weight	131310.0 kDa
excluded_volume	165070 Å³
envelope_volume	201180 Å³
shell_volume	50790 Å³
envelope_diameter	124.2 Å
shell_rg	40.09 Å
envelope_rg	32.68 Å
shape_rg	32.43 Å
total_rg	32.97 Å
total_atoms	15243
n_residues	1190
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	116.8 Å
rg_real	33.14 Å
rg_real_error	0.93 Å
i0_real	2.6100e+08
i0_real_error	5.1380e+06
rg_reciprocal	33.17 Å
i0_reciprocal	261000000.0000
total_estimate	0.8593
solution_quality	GOOD a GOOD solution
n_peaks	1
r_peak_primary	41.4 Å
skewness	0.330
kurtosis	-0.137
angular_range	— – 0.2400 Å⁻¹
current_alpha	0.0002
highest_alpha	135400000.0000
n_real_points	49
gnom_version	4.1.3
quality_criteria	AN1: 0.000; Oscil: 0.729; Stabil: 1.000; Sysdev: 1.000; Positv: 1.000; Valcen: 0.991; Smooth: 0.989

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4. Crystallography & Experiment

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5. Entities & Polymer Info (3)

Entity 1 polymer

description	Chalcone synthase
formula_weight	43202.7 kDa
ec_number	2.3.1.74
src_method	man
entity_count	2

Polymer

type	polypeptide(L)
strand_id	A,B
atom_count	16123

MVMAGASSLDEIRQAQRADGPAGILAIGTANPENHVLQAEYPDYYFRITNSEHMTDLKEKFKRMCDKSTIRKRHMHLTEEFLKENPHMCAYMAPSLDTRQDIVVVEVPKLGKEAAVKAIKEWGQPKSKITHVVFCTTSGVDMPGADYQLTKLLGLRPSVKRLMMYQQGCFAGGTVLRIAKDLAENNRGARVLVVCSEITAVTFRGPSDTHLDSLVGQALFSDGAAALIVGSDPDTSVGEKPIFEMVSAAQTILPDSDGAIDGHLREVGLTFHLLKDVPGLISKNIVKSLDEAFKPLGISDWNSLFWIAHPGGPAILDQVEIKLGLKEEKMRATRHVLSEYGNMSSACVLFILDEMRRKSAKDGVATTGEGLEWGVLFGFGPGLTVETVVLHSVPL

Source

organism	Arabidopsis thaliana
common_name	thale cress
ncbi_taxonomy_id	3702
host_organism	Escherichia coli

Entity 2 polymer

description	Probable chalcone--flavanone isomerase 3
formula_weight	23357.5 kDa
ec_number	5.5.1.6
src_method	man
entity_count	2

Polymer

type	polypeptide(L)
strand_id	C,D

MGTEMVMVHEVPFPPQIITSKPLSLLGQGITDIEIHFLQVKFTAIGVYLDPSDVKTHLDNWKGKTGKELAGDDDFFDALASAEMEKVIRVVVIKEIKGAQYGVQLENTVRDRLAEEDKYEEEEETELEKVVGFFQSKYFKANSVITYHFSAKDGICEIGFETEGKEEEKLKVENANVVGMMQRWYLSGSRGVSPSTIVSIADSISAVLT

Source

organism	Arabidopsis thaliana
common_name	thale cress
ncbi_taxonomy_id	3702
host_organism	Escherichia coli

Entity 3 water

description	water
formula_weight	18.0 kDa
src_method	nat
entity_count	808

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6. Citations (1)

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length_a	73.460 Å
length_b	114.910 Å
length_c	146.170 Å
angle_alpha	90.00 °
angle_beta	90.00 °
angle_gamma	90.00 °
z_pdb	8

space_group	P 21 21 21
int_tables_number	19
crystal_system	—

resolution	1.910 Å
resolution_low	34.990 Å
r_factor	0.1713
r_work	0.1696
r_free	0.2044

fit	/app/data/saxs_computation/wb/9wbe/9wbe.fit
pddf	/app/data/pr_computation/wb/9wbe/9wbe.pr.out
profile	/app/data/saxs_computation/wb/9wbe/9wbe.dat

Crystal structure of the CHS-CHIL 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 (3)

Entity 1 polymer

Polymer

Source

Entity 2 polymer

Polymer

Source

Entity 3 water

6. Citations (1)

7. Files & Curves (10)

Files (7)

Curves (3)