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1cru

SOLUBLE QUINOPROTEIN GLUCOSE DEHYDROGENASE FROM ACINETOBACTER CALCOACETICUS IN COMPLEX WITH PQQ AND METHYLHYDRAZINE

Method: X-RAY DIFFRACTION D_max: 95.6 Å Quality: EXCELLENT

SAXS Profile

P(r) Distribution

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1. Structure Basics

entry_id	1cru
deposition_date	1999-08-16
title	SOLUBLE QUINOPROTEIN GLUCOSE DEHYDROGENASE FROM ACINETOBACTER CALCOACETICUS IN COMPLEX WITH PQQ AND METHYLHYDRAZINE
keywords	BETA-PROPELLER, SUPERBARREL, COMPLEX WITH THE COFACTOR PQQ AND THE INHIBITOR METHYLHYDRAZINE, 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	30.00 Å
rg_electron	29.26 Å
i0	158597000.00
molecular_weight	100620.0 kDa
excluded_volume	126070 Å³
envelope_volume	148450 Å³
shell_volume	41135 Å³
envelope_diameter	96.7 Å
shell_rg	37.52 Å
envelope_rg	29.44 Å
shape_rg	29.23 Å
total_rg	30.09 Å
total_atoms	7106
n_residues	900
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	95.6 Å
rg_real	29.94 Å
rg_real_error	0.52 Å
i0_real	1.5860e+08
i0_real_error	2.3620e+06
rg_reciprocal	29.97 Å
i0_reciprocal	158600000.0000
total_estimate	0.9001
solution_quality	EXCELLENT a EXCELLENT solution
n_peaks	2
r_peak_primary	34.3 Å
skewness	0.284
kurtosis	-0.515
angular_range	— – 0.2650 Å⁻¹
current_alpha	0.0000
highest_alpha	50990000.0000
n_real_points	54
gnom_version	4.1.3
quality_criteria	AN1: 0.000; Oscil: 0.911; Stabil: 1.000; Sysdev: 1.000; Positv: 1.000; Valcen: 1.000; Smooth: 0.965

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4. Crystallography & Experiment

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5. Entities & Polymer Info (6)

Entity 1 polymer

description	PROTEIN (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	8003

DVPLTPSQFAKAKSENFDKKVILSNLNKPHALLWGPDNQIWLTERATGKILRVNPESGSVKTVFQVPEIVNDADGQNGLLGFAFHPDFKNNPYIYISGTFKNPKSTDKELPNQTIIRRYTYNKSTDTLEKPVDLLAGLPSSKDHQSGRLVIGPDQKIYYTIGDQGRNQLAYLFLPNQAQHTPTQQELNGKDYHTYMGKVLRLNLDGSIPKDNPSFNGVVSHIYTLGHRNPQGLAFTPNGKLLQSEQGPNSDDEINLIVKGGNYGWPNVAGYKDDSGYAYANYSAAANKSIKDLAQNGVKVAAGVPVTKESEWTGKNFVPPLKTLYTVQDTYNYNDPTCGEMTYICWPTVAPSSAYVYKGGKKAITGWENTLLVPSLKRGVIFRIKLDPTYSTTYDDAVPMFKSNNRYRDVIASPDGNVLYVLTDTAGNVQKDDGSVTNTLENPGSLIKFTYKAK

Source

organism	Acinetobacter calcoaceticus
ncbi_taxonomy_id	471
host_organism	Escherichia coli

Entity 2 non-polymer

description	CALCIUM ION
formula_weight	40.1 kDa
src_method	syn
entity_count	6

Entity 3 non-polymer

description	PYRROLOQUINOLINE QUINONE
formula_weight	330.2 kDa
src_method	syn
entity_count	2

Entity 4 non-polymer

description	METHYLHYDRAZINE
formula_weight	44.1 kDa
src_method	syn
entity_count	2

Entity 5 non-polymer

description	GLYCEROL
formula_weight	92.1 kDa
src_method	syn
entity_count	1

Entity 6 water

description	water
formula_weight	18.0 kDa
src_method	nat
entity_count	891

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6. Citations (3)

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length_a	60.579 Å
length_b	92.658 Å
length_c	85.727 Å
angle_alpha	90.00 °
angle_beta	105.37 °
angle_gamma	90.00 °
z_pdb	4

space_group	P 1 21 1
int_tables_number	4
crystal_system	—

resolution	1.500 Å
resolution_low	20.000 Å
r_factor	0.1760
r_work	0.1740
r_free	0.1950

fit	/app/data/saxs_computation/cr/1cru/1cru.fit
pddf	/app/data/pr_computation/cr/1cru/1cru.pr.out
profile	/app/data/saxs_computation/cr/1cru/1cru.dat