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1c9u

CRYSTAL STRUCTURE OF THE SOLUBLE QUINOPROTEIN GLUCOSE DEHYDROGENASE IN COMPLEX WITH PQQ

Method: X-RAY DIFFRACTION D_max: 93.9 Å Quality: EXCELLENT

SAXS Profile

P(r) Distribution

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1. Structure Basics

entry_id	1c9u
deposition_date	1999-08-03
title	CRYSTAL STRUCTURE OF THE SOLUBLE QUINOPROTEIN GLUCOSE DEHYDROGENASE IN COMPLEX WITH PQQ
keywords	BETA-PROPELLER, SUPERBARREL, COFACTOR BINDING, 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	29.80 Å
rg_electron	29.05 Å
i0	157717000.00
molecular_weight	100350.0 kDa
excluded_volume	125760 Å³
envelope_volume	146460 Å³
shell_volume	40841 Å³
envelope_diameter	94.4 Å
shell_rg	37.26 Å
envelope_rg	29.22 Å
shape_rg	29.02 Å
total_rg	29.87 Å
total_atoms	7086
n_residues	896
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	93.9 Å
rg_real	29.74 Å
rg_real_error	0.60 Å
i0_real	1.5770e+08
i0_real_error	2.3910e+06
rg_reciprocal	29.77 Å
i0_reciprocal	157700000.0000
total_estimate	0.9003
solution_quality	EXCELLENT a EXCELLENT solution
n_peaks	2
r_peak_primary	33.7 Å
skewness	0.280
kurtosis	-0.521
angular_range	— – 0.2650 Å⁻¹
current_alpha	0.0000
highest_alpha	49740000.0000
n_real_points	54
gnom_version	4.1.3
quality_criteria	AN1: 0.000; Oscil: 0.923; Stabil: 1.000; Sysdev: 1.000; Positv: 1.000; Valcen: 1.000; Smooth: 0.929

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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	7634

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	GLYCEROL
formula_weight	92.1 kDa
src_method	syn
entity_count	4

Entity 5 water

description	water
formula_weight	18.0 kDa
src_method	nat
entity_count	548

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6. Citations (2)

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length_a	60.590 Å
length_b	158.720 Å
length_c	221.390 Å
angle_alpha	90.00 °
angle_beta	90.00 °
angle_gamma	90.00 °
z_pdb	16

space_group	C 2 2 21
int_tables_number	20
crystal_system	—

resolution	2.200 Å
resolution_low	20.000 Å
r_factor	0.2240
r_work	0.2230
r_free	0.2860

fit	/app/data/saxs_computation/c9/1c9u/1c9u.fit
pddf	/app/data/pr_computation/c9/1c9u/1c9u.pr.out
profile	/app/data/saxs_computation/c9/1c9u/1c9u.dat