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1eyq

Chalcone isomerase and naringenin

Method: X-RAY DIFFRACTION D_max: 79.0 Å Quality: GOOD

SAXS Profile

P(r) Distribution

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1. Structure Basics

entry_id	1eyq
deposition_date	2000-05-08
title	Chalcone isomerase and naringenin
keywords	chalcone isomerase, flavonoid, ISOMERASE; ISOMERASE
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	23.30 Å
rg_electron	22.43 Å
i0	35225600.00
molecular_weight	46709.0 kDa
excluded_volume	58812 Å³
envelope_volume	66762 Å³
shell_volume	25062 Å³
envelope_diameter	80.7 Å
shell_rg	29.33 Å
envelope_rg	22.67 Å
shape_rg	22.44 Å
total_rg	23.25 Å
total_atoms	3285
n_residues	424
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	79.0 Å
rg_real	23.31 Å
rg_real_error	0.52 Å
i0_real	3.5230e+07
i0_real_error	4.8820e+05
rg_reciprocal	23.31 Å
i0_reciprocal	35230000.0000
total_estimate	0.8685
solution_quality	GOOD a GOOD solution
n_peaks	2
r_peak_primary	26.7 Å
skewness	0.437
kurtosis	-0.128
angular_range	— – 0.3400 Å⁻¹
current_alpha	0.0000
highest_alpha	10940000.0000
n_real_points	66
gnom_version	4.1.3
quality_criteria	AN1: 0.000; Oscil: 0.771; Stabil: 1.000; Sysdev: 1.000; Positv: 1.000; Valcen: 0.988; Smooth: 0.987

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4. Crystallography & Experiment

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5. Entities & Polymer Info (4)

Entity 1 polymer

description	CHALCONE-FLAVONONE ISOMERASE 1
formula_weight	23851.2 kDa
ec_number	5.5.1.6
src_method	man
entity_count	2

Polymer

type	polypeptide(L)
strand_id	A,B
atom_count	3667

MAASITAITVENLEYPAVVTSPVTGKSYFLGGAGERGLTIEGNFIKFTAIGVYLEDIAVASLAAKWKGKSSEELLETLDFYRDIISGPFEKLIRGSKIRELSGPEYSRKVMENCVAHLKSVGTYGDAEAEAMQKFAEAFKPVNFPPGASVFYRQSPDGILGLSFSPDTSIPEKEAALIENKAVSSAVLETMIGEHAVSPDLKRCLAARLPALLNEGAFKIGN

Source

organism	Medicago sativa
ncbi_taxonomy_id	3879
host_organism	Escherichia coli

Entity 2 non-polymer

description	SULFATE ION
formula_weight	96.1 kDa
src_method	syn
entity_count	5

Entity 3 non-polymer

description	NARINGENIN
formula_weight	272.3 kDa
src_method	syn
entity_count	2

Entity 4 water

description	water
formula_weight	18.0 kDa
src_method	nat
entity_count	382

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6. Citations (1)

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length_a	88.624 Å
length_b	88.624 Å
length_c	350.369 Å
angle_alpha	90.00 °
angle_beta	90.00 °
angle_gamma	120.00 °
z_pdb	24

space_group	P 65 2 2
int_tables_number	179
crystal_system	—

resolution	1.850 Å
resolution_low	46.700 Å
r_factor	—
r_work	0.2370
r_free	0.2620

fit	/app/data/saxs_computation/ey/1eyq/1eyq.fit
pddf	/app/data/pr_computation/ey/1eyq/1eyq.pr.out
profile	/app/data/saxs_computation/ey/1eyq/1eyq.dat

Chalcone isomerase and naringenin

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