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1e3j

Ketose reductase (sorbitol dehydrogenase) from silverleaf whitefly

Method: X-RAY DIFFRACTION D_max: 66.5 Å Quality: GOOD

SAXS Profile

P(r) Distribution

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1. Structure Basics

entry_id	1e3j
deposition_date	2000-06-19
title	Ketose reductase (sorbitol dehydrogenase) from silverleaf whitefly
keywords	OXIDOREDUCTASE, FRUCTOSE REDUCTION; 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	21.13 Å
rg_electron	20.30 Å
i0	24540400.00
molecular_weight	36999.0 kDa
excluded_volume	45981 Å³
envelope_volume	53829 Å³
shell_volume	22031 Å³
envelope_diameter	67.0 Å
shell_rg	26.82 Å
envelope_rg	20.44 Å
shape_rg	20.30 Å
total_rg	21.10 Å
total_atoms	2579
n_residues	348
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	66.5 Å
rg_real	21.04 Å
rg_real_error	0.32 Å
i0_real	2.4540e+07
i0_real_error	2.8980e+05
rg_reciprocal	21.06 Å
i0_reciprocal	24540000.0000
total_estimate	0.8985
solution_quality	GOOD a GOOD solution
n_peaks	2
r_peak_primary	25.4 Å
skewness	0.256
kurtosis	-0.342
angular_range	— – 0.3750 Å⁻¹
current_alpha	0.0000
highest_alpha	5453000.0000
n_real_points	69
gnom_version	4.1.3
quality_criteria	AN1: 0.000; Oscil: 0.904; Stabil: 1.000; Sysdev: 1.000; Positv: 1.000; Valcen: 0.999; Smooth: 0.966

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4. Crystallography & Experiment

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5. Entities & Polymer Info (5)

Entity 1 polymer

description	NADP(H)-DEPENDENT KETOSE REDUCTASE
formula_weight	38213.2 kDa
src_method	man
entity_count	1

Polymer

type	polypeptide(L)
strand_id	A
atom_count	2644

MASDNLSAVLYKQNDLRLEQRPIPEPKEDEVLLQMAYVGICGSDVHYYEHGRIADFIVKDPMVIGHEASGTVVKVGKNVKHLKKGDRVAVEPGVPCRRCQFCKEGKYNLCPDLTFCATPPDDGNLARYYVHAADFCHKLPDNVSLEEGALLEPLSVGVHACRRAGVQLGTTVLVIGAGPIGLVSVLAAKAYGAFVVCTARSPRRLEVAKNCGADVTLVVDPAKEEESSIIERIRSAIGDLPNVTIDCSGNEKCITIGINITRTGGTLMLVGMGSQMVTVPLVNACAREIDIKSVFRYCNDYPIALEMVASGRCNVKQLVTHSFKLEQTVDAFEAARKKADNTIKVMISCRQG

Source

organism	BEMISIA ARGENTIFOLII
common_name	SILVERLEAF WHITEFLY
ncbi_taxonomy_id	77855
host_organism	ESCHERICHIA COLI

Entity 2 non-polymer

description	ZINC ION
formula_weight	65.4 kDa
src_method	syn
entity_count	2

Entity 3 non-polymer

description	PHOSPHATE ION
formula_weight	95.0 kDa
src_method	syn
entity_count	1

Entity 4 non-polymer

description	BORIC ACID
formula_weight	61.8 kDa
src_method	syn
entity_count	1

Entity 5 water

description	water
formula_weight	18.0 kDa
src_method	nat
entity_count	47

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6. Citations (3)

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length_a	78.822 Å
length_b	98.395 Å
length_c	120.924 Å
angle_alpha	90.00 °
angle_beta	90.00 °
angle_gamma	90.00 °
z_pdb	8

space_group	I 2 2 2
int_tables_number	23
crystal_system	—

resolution	2.300 Å
resolution_low	20.000 Å
r_factor	0.2190
r_work	0.2190
r_free	0.2500

fit	/app/data/saxs_computation/e3/1e3j/1e3j.fit
pddf	/app/data/pr_computation/e3/1e3j/1e3j.pr.out
profile	/app/data/saxs_computation/e3/1e3j/1e3j.dat