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1a80

Native 2,5-DIKETO-D-GLUCONIC acid reductase a from CORYNBACTERIUM SP. complexed with nadph

Method: X-RAY DIFFRACTION D_max: 58.1 Å Quality: EXCELLENT

SAXS Profile

P(r) Distribution

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1. Structure Basics

entry_id	1a80
deposition_date	1998-03-31
title	Native 2,5-DIKETO-D-GLUCONIC acid reductase a from CORYNBACTERIUM SP. complexed with nadph
keywords	OXIDOREDUCTASE, ALPHA8/BETA8 BARREL, 2, 5-DIKETO-D-GLUCONIC ACID, COMMERCIAL VITAMIN C SYNTHESIS; 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	19.00 Å
rg_electron	17.73 Å
i0	17274100.00
molecular_weight	30713.0 kDa
excluded_volume	38053 Å³
envelope_volume	41756 Å³
shell_volume	19340 Å³
envelope_diameter	59.1 Å
shell_rg	24.20 Å
envelope_rg	17.93 Å
shape_rg	17.72 Å
total_rg	18.63 Å
total_atoms	2170
n_residues	277
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	58.1 Å
rg_real	18.87 Å
rg_real_error	0.27 Å
i0_real	1.7270e+07
i0_real_error	1.8870e+05
rg_reciprocal	18.89 Å
i0_reciprocal	17270000.0000
total_estimate	0.9047
solution_quality	EXCELLENT a EXCELLENT solution
n_peaks	2
r_peak_primary	24.2 Å
skewness	0.133
kurtosis	-0.491
angular_range	— – 0.4200 Å⁻¹
current_alpha	0.0000
highest_alpha	5173000.0000
n_real_points	73
gnom_version	4.1.3
quality_criteria	AN1: 0.000; Oscil: 0.924; Stabil: 1.000; Sysdev: 1.000; Positv: 1.000; Valcen: 0.988; Smooth: 0.997

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4. Crystallography & Experiment

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5. Entities & Polymer Info (3)

Entity 1 polymer

description	2,5-DIKETO-D-GLUCONIC ACID REDUCTASE A
formula_weight	30020.5 kDa
src_method	man
entity_count	1

Polymer

type	polypeptide(L)
strand_id	A
atom_count	2275

TVPSIVLNDGNSIPQLGYGVFKVPPADTQRAVEEALEVGYRHIDTAAIYGNEEGVGAAIAASGIARDDLFITTKLWNDRHDGDEPAAAIAESLAKLALDQVDLYLVHWPTPAADNYVHAWEKMIELRAAGLTRSIGVSNHLVPHLERIVAATGVVPAVNQIELHPAYQQREITDWAAAHDVKIESWGPLGQGKYDLFGAEPVTAAAAAHGKTPAQAVLRWHLQKGFVVFPKSVRRERLEENLDVFDFDLTDTEIAAIDAMDPGDGSGRVSAHPDEVD

Source

organism	Corynebacterium sp.
ncbi_taxonomy_id	1720
host_organism	Pantoea citrea

Entity 2 non-polymer

description	NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE
formula_weight	745.4 kDa
src_method	syn
entity_count	1

Entity 3 water

description	water
formula_weight	18.0 kDa
src_method	nat
entity_count	105

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6. Citations (3)

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length_a	35.700 Å
length_b	55.800 Å
length_c	74.700 Å
angle_alpha	90.00 °
angle_beta	92.20 °
angle_gamma	90.00 °
z_pdb	2

space_group	P 1 21 1
int_tables_number	4
crystal_system	—

resolution	2.100 Å
resolution_low	60.000 Å
r_factor	—
r_work	—
r_free	—

fit	/app/data/saxs_computation/a8/1a80/1a80.fit
pddf	/app/data/pr_computation/a8/1a80/1a80.pr.out
profile	/app/data/saxs_computation/a8/1a80/1a80.dat

Native 2,5-DIKETO-D-GLUCONIC acid reductase a from CORYNBACTERIUM SP. complexed with nadph

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