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1ad3

CLASS 3 ALDEHYDE DEHYDROGENASE COMPLEX WITH NICOTINAMIDE-ADENINE-DINUCLEOTIDE

Method: X-RAY DIFFRACTION D_max: 98.9 Å Quality: GOOD

SAXS Profile

P(r) Distribution

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1. Structure Basics

entry_id	1ad3
deposition_date	1996-06-25
title	CLASS 3 ALDEHYDE DEHYDROGENASE COMPLEX WITH NICOTINAMIDE-ADENINE-DINUCLEOTIDE
keywords	NADP, OXIDOREDUCTASE, AROMATIC ALDEHYDE; 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	30.21 Å
rg_electron	29.45 Å
i0	160075000.00
molecular_weight	100220.0 kDa
excluded_volume	125270 Å³
envelope_volume	148000 Å³
shell_volume	41417 Å³
envelope_diameter	102.0 Å
shell_rg	37.30 Å
envelope_rg	29.34 Å
shape_rg	29.45 Å
total_rg	30.09 Å
total_atoms	8578
n_residues	892
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	98.9 Å
rg_real	30.20 Å
rg_real_error	0.68 Å
i0_real	1.6010e+08
i0_real_error	2.4380e+06
rg_reciprocal	30.21 Å
i0_reciprocal	160100000.0000
total_estimate	0.8846
solution_quality	GOOD a GOOD solution
n_peaks	2
r_peak_primary	34.2 Å
skewness	0.373
kurtosis	-0.342
angular_range	— – 0.2600 Å⁻¹
current_alpha	0.0000
highest_alpha	62810000.0000
n_real_points	53
gnom_version	4.1.3
quality_criteria	AN1: 0.000; Oscil: 0.861; Stabil: 1.000; Sysdev: 1.000; Positv: 1.000; Valcen: 0.995; Smooth: 0.919

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4. Crystallography & Experiment

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5. Entities & Polymer Info (3)

Entity 1 polymer

description	ALDEHYDE DEHYDROGENASE (CLASS 3)
formula_weight	50313.4 kDa
ec_number	1.2.1.5
src_method	man
entity_count	2

Polymer

type	polypeptide(L)
strand_id	A,B
atom_count	8854

MSISDTVKRAREAFNSGKTRSLQFRIQQLEALQRMINENLKSISGALASDLGKNEWTSYYEEVAHVLEELDTTIKELPDWAEDEPVAKTRQTQQDDLYIHSEPLGVVLVIGAWNYPFNLTIQPMVGAVAAGNAVILKPSEVSGHMADLLATLIPQYMDQNLYLVVKGGVPETTELLKERFDHIMYTGSTAVGKIVMAAAAKHLTPVTLELGGKSPCYVDKDCDLDVACRRIAWGKFMNSGQTCVAPDYILCDPSIQNQIVEKLKKSLKDFYGEDAKQSRDYGRIINDRHFQRVKGLIDNQKVAHGGTWDQSSRYIAPTILVDVDPQSPVMQEEIFGPVMPIVCVRSLEEAIQFINQREKPLALYVFSNNEKVIKKMIAETSSGGVTANDVIVHITVPTLPFGGVGNSGMGAYHGKKSFETFSHRRSCLVKSLLNEEAHKARYPPSPAKMPRH

Source

organism	Rattus norvegicus
common_name	Norway rat
ncbi_taxonomy_id	10116
host_organism	Escherichia coli

Entity 2 non-polymer

description	NICOTINAMIDE-ADENINE-DINUCLEOTIDE
formula_weight	663.4 kDa
src_method	syn
entity_count	2

Entity 3 water

description	water
formula_weight	18.0 kDa
src_method	nat
entity_count	276

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6. Citations (4)

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length_a	64.950 Å
length_b	170.950 Å
length_c	47.160 Å
angle_alpha	90.00 °
angle_beta	110.25 °
angle_gamma	90.00 °
z_pdb	4

space_group	P 1 21 1
int_tables_number	4
crystal_system	—

resolution	2.600 Å
resolution_low	8.000 Å
r_factor	0.1770
r_work	0.1770
r_free	0.2790

fit	/app/data/saxs_computation/ad/1ad3/1ad3.fit
pddf	/app/data/pr_computation/ad/1ad3/1ad3.pr.out
profile	/app/data/saxs_computation/ad/1ad3/1ad3.dat

CLASS 3 ALDEHYDE DEHYDROGENASE COMPLEX WITH NICOTINAMIDE-ADENINE-DINUCLEOTIDE

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