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1cgz

CHALCONE SYNTHASE FROM ALFALFA COMPLEXED WITH RESVERATROL

Method: X-RAY DIFFRACTION D_max: 79.3 Å Quality: GOOD

SAXS Profile

P(r) Distribution

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1. Structure Basics

entry_id	1cgz
deposition_date	1999-03-26
title	CHALCONE SYNTHASE FROM ALFALFA COMPLEXED WITH RESVERATROL
keywords	POLYKETIDE SYNTHASE, CHALCONE BIOSYNTHESIS, 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	22.02 Å
rg_electron	20.95 Å
i0	29696700.00
molecular_weight	42700.0 kDa
excluded_volume	53858 Å³
envelope_volume	61662 Å³
shell_volume	24179 Å³
envelope_diameter	80.8 Å
shell_rg	28.12 Å
envelope_rg	21.47 Å
shape_rg	20.95 Å
total_rg	21.84 Å
total_atoms	2997
n_residues	387
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	79.3 Å
rg_real	21.95 Å
rg_real_error	0.54 Å
i0_real	2.9700e+07
i0_real_error	3.8870e+05
rg_reciprocal	21.96 Å
i0_reciprocal	29700000.0000
total_estimate	0.8409
solution_quality	GOOD a GOOD solution
n_peaks	2
r_peak_primary	26.0 Å
skewness	0.325
kurtosis	-0.169
angular_range	— – 0.3600 Å⁻¹
current_alpha	0.0000
highest_alpha	6665000.0000
n_real_points	68
gnom_version	4.1.3
quality_criteria	AN1: 0.000; Oscil: 0.666; Stabil: 1.000; Sysdev: 1.000; Positv: 1.000; Valcen: 0.949; Smooth: 0.980

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4. Crystallography & Experiment

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5. Entities & Polymer Info (3)

Entity 1 polymer

description	PROTEIN (CHALCONE SYNTHASE)
formula_weight	42755.3 kDa
ec_number	2.3.1.74
src_method	man
entity_count	1

Polymer

type	polypeptide(L)
strand_id	A
atom_count	3480

MVSVSEIRKAQRAEGPATILAIGTANPANCVEQSTYPDFYFKITNSEHKTELKEKFQRMCDKSMIKRRYMYLTEEILKENPNVCEYMAPSLDARQDMVVVEVPRLGKEAAVKAIKEWGQPKSKITHLIVCTTSGVDMPGADYQLTKLLGLRPYVKRYMMYQQGCFAGGTVLRLAKDLAENNKGARVLVVCSEVTAVTFRGPSDTHLDSLVGQALFGDGAAALIVGSDPVPEIEKPIFEMVWTAQTIAPDSEGAIDGHLREAGLTFHLLKDVPGIVSKNITKALVEAFEPLGISDYNSIFWIAHPGGPAILDQVEQKLALKPEKMNATREVLSEYGNMSSACVLFILDEMRKKSTQNGLKTTGEGLEWGVLFGFGPGLTIETVVLRSVAI

Source

organism	Medicago sativa
ncbi_taxonomy_id	3879
host_organism	Escherichia coli BL21

Entity 2 non-polymer

description	RESVERATROL
formula_weight	228.2 kDa
src_method	syn
entity_count	1

Entity 3 water

description	water
formula_weight	18.0 kDa
src_method	nat
entity_count	359

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6. Citations (1)

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length_a	97.657 Å
length_b	97.657 Å
length_c	65.359 Å
angle_alpha	90.00 °
angle_beta	90.00 °
angle_gamma	120.00 °
z_pdb	6

space_group	P 32 2 1
int_tables_number	154
crystal_system	—

resolution	1.700 Å
resolution_low	85.000 Å
r_factor	—
r_work	0.1708
r_free	0.2170

fit	/app/data/saxs_computation/cg/1cgz/1cgz.fit
pddf	/app/data/pr_computation/cg/1cgz/1cgz.pr.out
profile	/app/data/saxs_computation/cg/1cgz/1cgz.dat

CHALCONE SYNTHASE FROM ALFALFA COMPLEXED WITH RESVERATROL

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