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1d6h

CHALONE SYNTHASE (N336A MUTANT COMPLEXED WITH COA)

Method: X-RAY DIFFRACTION D_max: 80.1 Å Quality: GOOD

SAXS Profile

P(r) Distribution

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1. Structure Basics

entry_id	1d6h
deposition_date	1999-10-13
title	CHALONE SYNTHASE (N336A MUTANT COMPLEXED WITH COA)
keywords	POLYPETIDE SYNTHASE, FLAVONOID BIOSYNTHESIS, MALONYL-COA DECARBOXYLATION, SITE-DIRECTED MUTANT, 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	22.19 Å
rg_electron	21.04 Å
i0	31572000.00
molecular_weight	43326.0 kDa
excluded_volume	54316 Å³
envelope_volume	62519 Å³
shell_volume	24402 Å³
envelope_diameter	80.7 Å
shell_rg	28.31 Å
envelope_rg	21.57 Å
shape_rg	21.03 Å
total_rg	21.96 Å
total_atoms	3032
n_residues	386
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	80.1 Å
rg_real	22.14 Å
rg_real_error	0.68 Å
i0_real	3.1570e+07
i0_real_error	4.4280e+05
rg_reciprocal	22.15 Å
i0_reciprocal	31570000.0000
total_estimate	0.8358
solution_quality	GOOD a GOOD solution
n_peaks	2
r_peak_primary	25.1 Å
skewness	0.354
kurtosis	-0.116
angular_range	— – 0.3600 Å⁻¹
current_alpha	0.0000
highest_alpha	7167000.0000
n_real_points	68
gnom_version	4.1.3
quality_criteria	AN1: 0.000; Oscil: 0.652; Stabil: 0.996; Sysdev: 1.000; Positv: 1.000; Valcen: 0.945; Smooth: 0.974

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4. Crystallography & Experiment

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5. Entities & Polymer Info (4)

Entity 1 polymer

description	CHALCONE SYNTHASE
formula_weight	42513.9 kDa
ec_number	2.3.1.74
mutation	N336A
src_method	man
entity_count	1

Polymer

type	polypeptide(L)
strand_id	A
atom_count	3224

SVSEIRKAQRAEGPATILAIGTANPANCVEQSTYPDFYFKITNSEHKTELKEKFQRMCDKSMIKRRYMYLTEEILKENPNVCEYMAPSLDARQDMVVVEVPRLGKEAAVKAIKEWGQPKSKITHLIVCTTSGVDMPGADYQLTKLLGLRPYVKRYMMYQQGCFAGGTVLRLAKDLAENNKGARVLVVCSEVTAVTFRGPSDTHLDSLVGQALFGDGAAALIVGSDPVPEIEKPIFEMVWTAQTIAPDSEGAIDGHLREAGLTFHLLKDVPGIVSKNITKALVEAFEPLGISDYNSIFWIAHPGGPAILDQVEQKLALKPEKMNATREVLSEYGAMSSACVLFILDEMRKKSTQNGLKTTGEGLEWGVLFGFGPGLTIETVVLRSVAI

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	1

Entity 3 non-polymer

description	COENZYME A
formula_weight	767.5 kDa
src_method	syn
entity_count	1

Entity 4 water

description	water
formula_weight	18.0 kDa
src_method	nat
entity_count	184

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6. Citations (1)

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length_a	97.361 Å
length_b	97.361 Å
length_c	65.207 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	2.150 Å
resolution_low	85.000 Å
r_factor	—
r_work	0.1842
r_free	0.2574

fit	/app/data/saxs_computation/d6/1d6h/1d6h.fit
pddf	/app/data/pr_computation/d6/1d6h/1d6h.pr.out
profile	/app/data/saxs_computation/d6/1d6h/1d6h.dat

CHALONE SYNTHASE (N336A MUTANT COMPLEXED WITH 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