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1chw

CHALCONE SYNTHASE FROM ALFALFA COMPLEXED WITH HEXANOYL-COA

Method: X-RAY DIFFRACTION D_max: 121.3 Å Quality: GOOD

SAXS Profile

P(r) Distribution

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1. Structure Basics

entry_id	1chw
deposition_date	1999-03-30
title	CHALCONE SYNTHASE FROM ALFALFA COMPLEXED WITH HEXANOYL-COA
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	36.53 Å
rg_electron	36.21 Å
i0	115132000.00
molecular_weight	87104.0 kDa
excluded_volume	109440 Å³
envelope_volume	137660 Å³
shell_volume	33347 Å³
envelope_diameter	122.0 Å
shell_rg	40.03 Å
envelope_rg	35.86 Å
shape_rg	36.19 Å
total_rg	36.54 Å
total_atoms	6100
n_residues	778
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	121.3 Å
rg_real	36.82 Å
rg_real_error	1.22 Å
i0_real	1.1510e+08
i0_real_error	1.9070e+06
rg_reciprocal	36.64 Å
i0_reciprocal	115100000.0000
total_estimate	0.7931
solution_quality	GOOD a GOOD solution
n_peaks	1
r_peak_primary	28.2 Å
skewness	0.380
kurtosis	-0.776
angular_range	— – 0.2150 Å⁻¹
current_alpha	0.0000
highest_alpha	26700000.0000
n_real_points	44
gnom_version	4.1.3
quality_criteria	AN1: 0.000; Oscil: 0.662; Stabil: 1.000; Sysdev: 1.000; Positv: 1.000; Valcen: 0.545; Smooth: 0.777

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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	42739.2 kDa
ec_number	2.3.1.74
mutation	C164S
src_method	man
entity_count	2

Polymer

type	polypeptide(L)
strand_id	A,B
atom_count	6636

MVSVSEIRKAQRAEGPATILAIGTANPANCVEQSTYPDFYFKITNSEHKTELKEKFQRMCDKSMIKRRYMYLTEEILKENPNVCEYMAPSLDARQDMVVVEVPRLGKEAAVKAIKEWGQPKSKITHLIVCTTSGVDMPGADYQLTKLLGLRPYVKRYMMYQQGSFAGGTVLRLAKDLAENNKGARVLVVCSEVTAVTFRGPSDTHLDSLVGQALFGDGAAALIVGSDPVPEIEKPIFEMVWTAQTIAPDSEGAIDGHLREAGLTFHLLKDVPGIVSKNITKALVEAFEPLGISDYNSIFWIAHPGGPAILDQVEQKLALKPEKMNATREVLSEYGNMSSACVLFILDEMRKKSTQNGLKTTGEGLEWGVLFGFGPGLTIETVVLRSVAI

Source

organism	Medicago sativa
ncbi_taxonomy_id	3879

Entity 2 non-polymer

description	HEXANOYL-COENZYME A
formula_weight	865.7 kDa
src_method	syn
entity_count	2

Entity 3 water

description	water
formula_weight	18.0 kDa
src_method	nat
entity_count	440

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6. Citations (1)

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length_a	97.814 Å
length_b	97.814 Å
length_c	130.463 Å
angle_alpha	90.00 °
angle_beta	90.00 °
angle_gamma	120.00 °
z_pdb	12

space_group	P 31 2 1
int_tables_number	152
crystal_system	—

resolution	1.900 Å
resolution_low	70.710 Å
r_factor	—
r_work	0.2129
r_free	0.2900

fit	/app/data/saxs_computation/ch/1chw/1chw.fit
pddf	/app/data/pr_computation/ch/1chw/1chw.pr.out
profile	/app/data/saxs_computation/ch/1chw/1chw.dat

CHALCONE SYNTHASE FROM ALFALFA COMPLEXED WITH HEXANOYL-COA

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