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1az2

CITRATE BOUND, C298A/W219Y MUTANT HUMAN ALDOSE REDUCTASE

Method: X-RAY DIFFRACTION D_max: 62.0 Å Quality: EXCELLENT

SAXS Profile

P(r) Distribution

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1. Structure Basics

entry_id	1az2
deposition_date	1997-11-24
title	CITRATE BOUND, C298A/W219Y MUTANT HUMAN ALDOSE REDUCTASE
keywords	OXIDOREDUCTASE, ALDO-KETO REDUCTASE, INHIBITOR BINDING; 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	20.00 Å
rg_electron	18.82 Å
i0	22297100.00
molecular_weight	36530.0 kDa
excluded_volume	45927 Å³
envelope_volume	50564 Å³
shell_volume	21820 Å³
envelope_diameter	63.7 Å
shell_rg	25.91 Å
envelope_rg	19.15 Å
shape_rg	18.81 Å
total_rg	19.77 Å
total_atoms	2570
n_residues	314
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	62.0 Å
rg_real	19.88 Å
rg_real_error	0.29 Å
i0_real	2.2300e+07
i0_real_error	2.7120e+05
rg_reciprocal	19.90 Å
i0_reciprocal	22300000.0000
total_estimate	0.9004
solution_quality	EXCELLENT a EXCELLENT solution
n_peaks	2
r_peak_primary	25.7 Å
skewness	0.148
kurtosis	-0.456
angular_range	— – 0.3950 Å⁻¹
current_alpha	0.0000
highest_alpha	6484000.0000
n_real_points	71
gnom_version	4.1.3
quality_criteria	AN1: 0.000; Oscil: 0.907; Stabil: 1.000; Sysdev: 1.000; Positv: 1.000; Valcen: 0.984; Smooth: 0.997

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4. Crystallography & Experiment

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5. Entities & Polymer Info (3)

Entity 1 polymer

description	ALDOSE REDUCTASE
formula_weight	35712.0 kDa
ec_number	1.1.1.21
mutation	W219Y, C298A
src_method	man
entity_count	1

Polymer

type	polypeptide(L)
strand_id	A
atom_count	2570

ASRLLLNNGAKMPILGLGTWKSPPGQVTEAVKVAIDVGYRHIDCAHVYQNENEVGVAIQEKLREQVVKREELFIVSKLWCTYHEKGLVKGACQKTLSDLKLDYLDLYLIHWPTGFKPGKEFFPLDESGNVVPSDTNILDTWAAMEELVDEGLVKAIGISNFNHLQVEMILNKPGLKYKPAVNQIECHPYLTQEKLIQYCQSKGIVVTAYSPLGSPDRPYAKPEDPSLLEDPRIKAIAAKHNKTTAQVLIRFPMQRNLVVIPKSVTPERIAENFKVFDFELSSQDMTTLLSYNRNWRVAALLSCTSHKDYPFHEEF

Source

organism	Homo sapiens
common_name	human
ncbi_taxonomy_id	9606
host_organism	Escherichia coli BL21(DE3)

Entity 2 non-polymer

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

Entity 3 non-polymer

description	CITRIC ACID
formula_weight	192.1 kDa
src_method	syn
entity_count	1

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6. Citations (1)

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length_a	50.034 Å
length_b	67.167 Å
length_c	92.177 Å
angle_alpha	90.00 °
angle_beta	90.00 °
angle_gamma	90.00 °
z_pdb	4

space_group	P 21 21 21
int_tables_number	19
crystal_system	—

resolution	2.900 Å
resolution_low	10.000 Å
r_factor	0.1960
r_work	0.1960
r_free	—

fit	/app/data/saxs_computation/az/1az2/1az2.fit
pddf	/app/data/pr_computation/az/1az2/1az2.pr.out
profile	/app/data/saxs_computation/az/1az2/1az2.dat

CITRATE BOUND, C298A/W219Y MUTANT HUMAN ALDOSE REDUCTASE

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