ALCOHOL DEHYDROGENASE FROM DROSOPHILA LEBANONENSIS TERNARY COMPLEX WITH NAD-3-PENTANONE

Method: X-RAY DIFFRACTION D_max: 82.6 Å Quality: GOOD

SAXS Profile

P(r) Distribution

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1. Structure Basics

entry_id	1b16
deposition_date	1998-11-25
title	ALCOHOL DEHYDROGENASE FROM DROSOPHILA LEBANONENSIS TERNARY COMPLEX WITH NAD-3-PENTANONE
keywords	;OXIDOREDUCTASE, DETOXIFICATION, METABOLISM, ALCOHOL DEHYDROGENASE, DROSOPHILA LEBANONENSIS, SHORT-CHAIN DEHYDROGENASES/REDUCTASES, TERNARY COMPLEX, NAD-3- PENTANONE ADDUCT ;; 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	24.36 Å
rg_electron	23.47 Å
i0	50684300.00
molecular_weight	57081.0 kDa
excluded_volume	72212 Å³
envelope_volume	80860 Å³
shell_volume	28485 Å³
envelope_diameter	84.8 Å
shell_rg	31.17 Å
envelope_rg	23.75 Å
shape_rg	23.44 Å
total_rg	24.43 Å
total_atoms	4026
n_residues	508
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	82.6 Å
rg_real	24.35 Å
rg_real_error	0.43 Å
i0_real	5.0680e+07
i0_real_error	6.0410e+05
rg_reciprocal	24.35 Å
i0_reciprocal	50680000.0000
total_estimate	0.8694
solution_quality	GOOD a GOOD solution
n_peaks	2
r_peak_primary	27.5 Å
skewness	0.406
kurtosis	-0.184
angular_range	— – 0.3250 Å⁻¹
current_alpha	0.0000
highest_alpha	22280000.0000
n_real_points	64
gnom_version	4.1.3
quality_criteria	AN1: 0.000; Oscil: 0.779; Stabil: 1.000; Sysdev: 1.000; Positv: 1.000; Valcen: 0.975; Smooth: 0.986

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4. Crystallography & Experiment

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5. Entities & Polymer Info (3)

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6. Citations (2)

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length_a	66.800 Å
length_b	53.000 Å
length_c	70.500 Å
angle_alpha	90.00 °
angle_beta	107.20 °
angle_gamma	90.00 °
z_pdb	4

space_group	P 1 21 1
int_tables_number	4
crystal_system	—

resolution	1.400 Å
resolution_low	8.000 Å
r_factor	—
r_work	0.1840
r_free	0.2130

description	PROTEIN (ALCOHOL DEHYDROGENASE)
formula_weight	27824.0 kDa
ec_number	1.1.1.1
src_method	nat
entity_count	2

type	polypeptide(L)
strand_id	A,B
atom_count	4567

ALCOHOL DEHYDROGENASE FROM DROSOPHILA LEBANONENSIS TERNARY COMPLEX WITH NAD-3-PENTANONE

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

5. Entities & Polymer Info (3)

Entity 1 polymer

Polymer

Entity 2 non-polymer

Entity 3 water

6. Citations (2)

7. Files & Curves (10)

Files (7)

Curves (3)

description	NICOTINAMIDE ADENINE DINUCLEOTIDE 3-PENTANONE ADDUCT
formula_weight	747.5 kDa
src_method	syn
entity_count	2

description	water
formula_weight	18.0 kDa
src_method	nat
entity_count	485

fit	/app/data/saxs_computation/b1/1b16/1b16.fit
pddf	/app/data/pr_computation/b1/1b16/1b16.pr.out
profile	/app/data/saxs_computation/b1/1b16/1b16.dat