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1bxk

DTDP-GLUCOSE 4,6-DEHYDRATASE FROM E. COLI

Method: X-RAY DIFFRACTION D_max: 103.6 Å Quality: GOOD

SAXS Profile

P(r) Distribution

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1. Structure Basics

entry_id	1bxk
deposition_date	1998-10-05
title	DTDP-GLUCOSE 4,6-DEHYDRATASE FROM E. COLI
keywords	EPIMERASE, DEHYDRATASE, DEHYDROGENASE, LYASE; LYASE
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	29.01 Å
rg_electron	28.43 Å
i0	99940200.00
molecular_weight	77820.0 kDa
excluded_volume	96788 Å³
envelope_volume	116660 Å³
shell_volume	34682 Å³
envelope_diameter	109.1 Å
shell_rg	35.28 Å
envelope_rg	28.59 Å
shape_rg	28.41 Å
total_rg	29.09 Å
total_atoms	5487
n_residues	685
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	103.6 Å
rg_real	29.07 Å
rg_real_error	0.94 Å
i0_real	9.9940e+07
i0_real_error	1.5780e+06
rg_reciprocal	29.04 Å
i0_reciprocal	99940000.0000
total_estimate	0.8426
solution_quality	GOOD a GOOD solution
n_peaks	2
r_peak_primary	30.1 Å
skewness	0.458
kurtosis	-0.135
angular_range	— – 0.2750 Å⁻¹
current_alpha	0.0000
highest_alpha	29200000.0000
n_real_points	56
gnom_version	4.1.3
quality_criteria	AN1: 0.000; Oscil: 0.720; Stabil: 1.000; Sysdev: 1.000; Positv: 1.000; Valcen: 0.863; Smooth: 0.926

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4. Crystallography & Experiment

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5. Entities & Polymer Info (3)

Entity 1 polymer

description	PROTEIN (DTDP-GLUCOSE 4,6-DEHYDRATASE)
formula_weight	39703.7 kDa
ec_number	4.2.1.46
src_method	man
entity_count	2

Polymer

type	polypeptide(L)
strand_id	A,B
atom_count	5856

MRKILITGGAGFIGSALVRYIINETSDAVVVVDKLTYAGNLMSLAPVAQSERFAFEKVDICDRAELARVFTEHQPDCVMHLAAESHVDRSIDGPAAFIETNIVGTYTLLEAARAYWNALTEDKKSAFRFHHISTDEVYGDLHSTDDFFTETTPYAPSSPYSASKASSDHLVRAWLRTYGLPTLITNCSNNYGPYHFPEKLIPLMILNALAGKSLPVYGNGQQIRDWLYVEDHARALYCVATTGKVGETYNIGGHNERKNLDVVETICELLEELAPNKPHGVAHYRDLITFVADRPGHDLRYAIDASKIARELGCVPQETFESGMRKTVQWYLANESWWKQVQDGSYQGERLGLKG

Source

organism	Escherichia coli
ncbi_taxonomy_id	562
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	359

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6. Citations (1)

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length_a	68.400 Å
length_b	109.200 Å
length_c	128.700 Å
angle_alpha	90.00 °
angle_beta	90.00 °
angle_gamma	90.00 °
z_pdb	8

space_group	P 21 21 21
int_tables_number	19
crystal_system	—

resolution	1.900 Å
resolution_low	30.000 Å
r_factor	—
r_work	0.1950
r_free	—

fit	/app/data/saxs_computation/bx/1bxk/1bxk.fit
pddf	/app/data/pr_computation/bx/1bxk/1bxk.pr.out
profile	/app/data/saxs_computation/bx/1bxk/1bxk.dat

DTDP-GLUCOSE 4,6-DEHYDRATASE FROM E. COLI

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