ALDEHYDE REDUCTASE COMPLEXED WITH COFACTOR AND INHIBITOR, ALPHA CARBON ATOMS ONLY

Method: X-RAY DIFFRACTION D_max: 63.3 Å Quality: GOOD

SAXS Profile

P(r) Distribution

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1. Structure Basics

entry_id	1ae4
deposition_date	1997-03-05
title	ALDEHYDE REDUCTASE COMPLEXED WITH COFACTOR AND INHIBITOR, ALPHA CARBON ATOMS ONLY
keywords	ALDO-KETO REDUCTASE, OXIDOREDUCTASE, TIM-BARREL; 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	19.63 Å
rg_electron	18.88 Å
i0	23234600.00
molecular_weight	37509.0 kDa
excluded_volume	45901 Å³
envelope_volume	32399 Å³
shell_volume	15896 Å³
envelope_diameter	58.9 Å
shell_rg	22.60 Å
envelope_rg	17.53 Å
shape_rg	17.98 Å
total_rg	19.35 Å
total_atoms	72
n_residues	—
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	63.3 Å
rg_real	19.48 Å
rg_real_error	0.33 Å
i0_real	2.3230e+07
i0_real_error	2.7100e+05
rg_reciprocal	19.50 Å
i0_reciprocal	23230000.0000
total_estimate	0.8024
solution_quality	GOOD a GOOD solution
n_peaks	3
r_peak_primary	25.0 Å
skewness	0.116
kurtosis	-0.474
angular_range	— – 0.4050 Å⁻¹
current_alpha	0.0000
highest_alpha	7530000.0000
n_real_points	72
gnom_version	4.1.3
quality_criteria	AN1: 0.000; Oscil: 0.814; Stabil: 0.995; Sysdev: 1.000; Positv: 1.000; Valcen: 0.999; Smooth: 0.000

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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	67.800 Å
length_b	67.800 Å
length_c	245.280 Å
angle_alpha	90.00 °
angle_beta	90.00 °
angle_gamma	120.00 °
z_pdb	12

space_group	P 65 2 2
int_tables_number	179
crystal_system	—

resolution	2.400 Å
resolution_low	8.000 Å
r_factor	0.1900
r_work	0.1900
r_free	—

description	ALDEHYDE REDUCTASE
formula_weight	36583.9 kDa
ec_number	1.1.1.2
src_method	nat
entity_count	1

type	polypeptide(L)
strand_id	A
atom_count	396

ALDEHYDE REDUCTASE COMPLEXED WITH COFACTOR AND INHIBITOR, ALPHA CARBON ATOMS ONLY

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 non-polymer

6. Citations (2)

7. Files & Curves (10)

Files (7)

Curves (3)

description	NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE
formula_weight	743.4 kDa
src_method	syn
entity_count	1

description	TOLRESTAT
formula_weight	357.3 kDa
src_method	syn
entity_count	1

fit	/app/data/saxs_computation/ae/1ae4/1ae4.fit
pddf	/app/data/pr_computation/ae/1ae4/1ae4.pr.out
profile	/app/data/saxs_computation/ae/1ae4/1ae4.dat