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1cq1

Soluble Quinoprotein Glucose Dehydrogenase from Acinetobacter Calcoaceticus in Complex with PQQH2 and Glucose

Method: X-RAY DIFFRACTION D_max: 94.9 Å Quality: GOOD

SAXS Profile

P(r) Distribution

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1. Structure Basics

entry_id	1cq1
deposition_date	1999-08-04
title	Soluble Quinoprotein Glucose Dehydrogenase from Acinetobacter Calcoaceticus in Complex with PQQH2 and Glucose
keywords	BETA-PROPELLER, SUPERBARREL, COMPLEX WITH COFACTOR AND SUBSTRATE, OXIDOREDUCTASE; OXIDOREDUCTASE
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	29.85 Å
rg_electron	29.11 Å
i0	155705000.00
molecular_weight	99674.0 kDa
excluded_volume	124890 Å³
envelope_volume	145880 Å³
shell_volume	40665 Å³
envelope_diameter	94.6 Å
shell_rg	37.30 Å
envelope_rg	29.28 Å
shape_rg	29.08 Å
total_rg	29.93 Å
total_atoms	7039
n_residues	890
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	94.9 Å
rg_real	29.79 Å
rg_real_error	0.62 Å
i0_real	1.5570e+08
i0_real_error	2.3450e+06
rg_reciprocal	29.82 Å
i0_reciprocal	155700000.0000
total_estimate	0.8269
solution_quality	GOOD a GOOD solution
n_peaks	2
r_peak_primary	34.0 Å
skewness	0.281
kurtosis	-0.517
angular_range	— – 0.2650 Å⁻¹
current_alpha	0.0000
highest_alpha	48770000.0000
n_real_points	54
gnom_version	4.1.3
quality_criteria	AN1: 0.000; Oscil: 0.915; Stabil: 1.000; Sysdev: 1.000; Positv: 1.000; Valcen: 1.000; Smooth: 0.000

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4. Crystallography & Experiment

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5. Entities & Polymer Info (5)

Entity 1 polymer

description	SOLUBLE QUINOPROTEIN GLUCOSE DEHYDROGENASE
formula_weight	50293.2 kDa
ec_number	1.1.99.17
src_method	man
entity_count	2

Polymer

type	polypeptide(L)
strand_id	A,B
atom_count	7629

DVPLTPSQFAKAKSENFDKKVILSNLNKPHALLWGPDNQIWLTERATGKILRVNPESGSVKTVFQVPEIVNDADGQNGLLGFAFHPDFKNNPYIYISGTFKNPKSTDKELPNQTIIRRYTYNKSTDTLEKPVDLLAGLPSSKDHQSGRLVIGPDQKIYYTIGDQGRNQLAYLFLPNQAQHTPTQQELNGKDYHTYMGKVLRLNLDGSIPKDNPSFNGVVSHIYTLGHRNPQGLAFTPNGKLLQSEQGPNSDDEINLIVKGGNYGWPNVAGYKDDSGYAYANYSAAANKSIKDLAQNGVKVAAGVPVTKESEWTGKNFVPPLKTLYTVQDTYNYNDPTCGEMTYICWPTVAPSSAYVYKGGKKAITGWENTLLVPSLKRGVIFRIKLDPTYSTTYDDAVPMFKSNNRYRDVIASPDGNVLYVLTDTAGNVQKDDGSVTNTLENPGSLIKFTYKAK

Source

organism	Acinetobacter calcoaceticus
ncbi_taxonomy_id	471
host_organism	Escherichia coli

Entity 2 non-polymer

description	beta-D-glucopyranose
formula_weight	180.2 kDa
src_method	syn
entity_count	2

Entity 3 non-polymer

description	CALCIUM ION
formula_weight	40.1 kDa
src_method	syn
entity_count	6

Entity 4 non-polymer

description	PYRROLOQUINOLINE QUINONE
formula_weight	330.2 kDa
src_method	syn
entity_count	2

Entity 5 water

description	water
formula_weight	18.0 kDa
src_method	nat
entity_count	590

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6. Citations (2)

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length_a	60.899 Å
length_b	91.972 Å
length_c	85.747 Å
angle_alpha	90.00 °
angle_beta	104.62 °
angle_gamma	90.00 °
z_pdb	4

space_group	P 1 21 1
int_tables_number	4
crystal_system	—

resolution	1.900 Å
resolution_low	20.000 Å
r_factor	0.1900
r_work	0.1900
r_free	0.2260

fit	/app/data/saxs_computation/cq/1cq1/1cq1.fit
pddf	/app/data/pr_computation/cq/1cq1/1cq1.pr.out
profile	/app/data/saxs_computation/cq/1cq1/1cq1.dat