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1bq6

CHALCONE SYNTHASE FROM ALFALFA WITH COENZYME A

Method: X-RAY DIFFRACTION D_max: 79.4 Å Quality: GOOD

SAXS Profile

P(r) Distribution

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1. Structure Basics

entry_id	1bq6
deposition_date	1998-08-21
title	CHALCONE SYNTHASE FROM ALFALFA WITH COENZYME A
keywords	TRANSFERASE, POLYKETIDE SYNTHASE, CHALCONE BIOSYNTHESIS; 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	22.22 Å
rg_electron	21.13 Å
i0	31819300.00
molecular_weight	43468.0 kDa
excluded_volume	54490 Å³
envelope_volume	62366 Å³
shell_volume	24349 Å³
envelope_diameter	81.3 Å
shell_rg	28.23 Å
envelope_rg	21.62 Å
shape_rg	21.12 Å
total_rg	22.03 Å
total_atoms	3042
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	79.4 Å
rg_real	22.17 Å
rg_real_error	0.57 Å
i0_real	3.1820e+07
i0_real_error	4.8220e+05
rg_reciprocal	22.18 Å
i0_reciprocal	31820000.0000
total_estimate	0.8414
solution_quality	GOOD a GOOD solution
n_peaks	2
r_peak_primary	26.1 Å
skewness	0.364
kurtosis	-0.099
angular_range	— – 0.3600 Å⁻¹
current_alpha	0.0000
highest_alpha	7304000.0000
n_real_points	68
gnom_version	4.1.3
quality_criteria	AN1: 0.000; Oscil: 0.679; Stabil: 1.000; Sysdev: 1.000; Positv: 1.000; Valcen: 0.950; Smooth: 0.946

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4. Crystallography & Experiment

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5. Entities & Polymer Info (4)

Entity 1 polymer

description	CHALCONE SYNTHASE
formula_weight	42656.1 kDa
ec_number	2.3.1.74
src_method	man
entity_count	1

Polymer

type	polypeptide(L)
strand_id	A
atom_count	3514

VSVSEIRKAQRAEGPATILAIGTANPANCVEQSTYPDFYFKITNSEHKTELKEKFQRMCDKSMIKRRYMYLTEEILKENPNVCEYMAPSLDARQDMVVVEVPRLGKEAAVKAIKEWGQPKSKITHLIVCTTSGVDMPGADYQLTKLLGLRPYVKRYMMYQQGCFAGGTVLRLAKDLAENNKGARVLVVCSEVTAVTFRGPSDTHLDSLVGQALFGDGAAALIVGSDPVPEIEKPIFEMVWTAQTIAPDSEGAIDGHLREAGLTFHLLKDVPGIVSKNITKALVEAFEPLGISDYNSIFWIAHPGGPAILDQVEQKLALKPEKMNATREVLSEYGNMSSACVLFILDEMRKKSTQNGLKTTGEGLEWGVLFGFGPGLTIETVVLRSVAI

Source

organism	Medicago sativa
ncbi_taxonomy_id	3879
host_organism	Escherichia coli BL21

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	347

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6. Citations (1)

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length_a	97.631 Å
length_b	97.631 Å
length_c	65.303 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	1.560 Å
resolution_low	10.000 Å
r_factor	0.1654
r_work	—
r_free	0.2116

fit	/app/data/saxs_computation/bq/1bq6/1bq6.fit
pddf	/app/data/pr_computation/bq/1bq6/1bq6.pr.out
profile	/app/data/saxs_computation/bq/1bq6/1bq6.dat

CHALCONE SYNTHASE FROM ALFALFA WITH COENZYME A

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