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1d6i

CHALCONE SYNTHASE (H303Q MUTANT)

Method: X-RAY DIFFRACTION D_max: 121.4 Å Quality: GOOD

SAXS Profile

P(r) Distribution

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1. Structure Basics

entry_id	1d6i
deposition_date	1999-10-13
title	CHALCONE SYNTHASE (H303Q MUTANT)
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	36.23 Å
rg_electron	35.93 Å
i0	108675000.00
molecular_weight	85154.0 kDa
excluded_volume	107270 Å³
envelope_volume	136080 Å³
shell_volume	33185 Å³
envelope_diameter	121.3 Å
shell_rg	39.77 Å
envelope_rg	35.71 Å
shape_rg	35.92 Å
total_rg	36.25 Å
total_atoms	5970
n_residues	772
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	121.4 Å
rg_real	36.52 Å
rg_real_error	1.23 Å
i0_real	1.0870e+08
i0_real_error	1.8630e+06
rg_reciprocal	36.34 Å
i0_reciprocal	108700000.0000
total_estimate	0.8037
solution_quality	GOOD a GOOD solution
n_peaks	1
r_peak_primary	27.6 Å
skewness	0.397
kurtosis	-0.743
angular_range	— – 0.2200 Å⁻¹
current_alpha	0.0000
highest_alpha	25220000.0000
n_real_points	45
gnom_version	4.1.3
quality_criteria	AN1: 0.000; Oscil: 0.667; Stabil: 1.000; Sysdev: 1.000; Positv: 1.000; Valcen: 0.596; Smooth: 0.846

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4. Crystallography & Experiment

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5. Entities & Polymer Info (3)

Entity 1 polymer

description	CHALCONE SYNTHASE
formula_weight	42646.1 kDa
ec_number	2.3.1.74
mutation	H303Q
src_method	man
entity_count	2

Polymer

type	polypeptide(L)
strand_id	A,B
atom_count	6328

VSVSEIRKAQRAEGPATILAIGTANPANCVEQSTYPDFYFKITNSEHKTELKEKFQRMCDKSMIKRRYMYLTEEILKENPNVCEYMAPSLDARQDMVVVEVPRLGKEAAVKAIKEWGQPKSKITHLIVCTTSGVDMPGADYQLTKLLGLRPYVKRYMMYQQGCFAGGTVLRLAKDLAENNKGARVLVVCSEVTAVTFRGPSDTHLDSLVGQALFGDGAAALIVGSDPVPEIEKPIFEMVWTAQTIAPDSEGAIDGHLREAGLTFHLLKDVPGIVSKNITKALVEAFEPLGISDYNSIFWIAQPGGPAILDQVEQKLALKPEKMNATREVLSEYGNMSSACVLFILDEMRKKSTQNGLKTTGEGLEWGVLFGFGPGLTIETVVLRSVAI

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	2

Entity 3 water

description	water
formula_weight	18.0 kDa
src_method	nat
entity_count	326

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6. Citations (1)

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length_a	97.856 Å
length_b	97.856 Å
length_c	129.601 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	2.000 Å
resolution_low	71.000 Å
r_factor	—
r_work	0.1963
r_free	0.2686

fit	/app/data/saxs_computation/d6/1d6i/1d6i.fit
pddf	/app/data/pr_computation/d6/1d6i/1d6i.pr.out
profile	/app/data/saxs_computation/d6/1d6i/1d6i.dat

CHALCONE SYNTHASE (H303Q MUTANT)

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