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1e48

L-Fuculose 1-Phosphate Aldolase from Escherichia coli Mutant E73Q/Y113F/Y209F

Method: X-RAY DIFFRACTION D_max: 66.2 Å Quality: REASONABLE

SAXS Profile

P(r) Distribution

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1. Structure Basics

entry_id	1e48
deposition_date	2000-06-30
title	L-Fuculose 1-Phosphate Aldolase from Escherichia coli Mutant E73Q/Y113F/Y209F
keywords	;ALDOLASE (CLASS II), BACTERIAL L-FUCOSE METABOLISM, CLEAVAGE OF L-FUCULOSE 1-PHOSPHATE TO DIHYDROXYACETONE PHOSPHATE AND L-LACTALDEHYDE, MUTANT STRUCTURE ;; ALDOLASE (CLASS II)
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	17.81 Å
rg_electron	17.07 Å
i0	9783920.00
molecular_weight	22961.0 kDa
excluded_volume	28673 Å³
envelope_volume	32844 Å³
shell_volume	16346 Å³
envelope_diameter	61.6 Å
shell_rg	23.07 Å
envelope_rg	17.50 Å
shape_rg	17.08 Å
total_rg	17.98 Å
total_atoms	1607
n_residues	206
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	66.2 Å
rg_real	17.83 Å
rg_real_error	0.32 Å
i0_real	9.7880e+06
i0_real_error	1.2000e+05
rg_reciprocal	17.79 Å
i0_reciprocal	9784000.0000
total_estimate	0.5892
solution_quality	REASONABLE a REASONABLE solution
n_peaks	2
r_peak_primary	20.6 Å
skewness	0.407
kurtosis	-0.039
angular_range	— – 0.4450 Å⁻¹
current_alpha	0.1610
highest_alpha	3290000.0000
n_real_points	75
gnom_version	4.1.3
quality_criteria	AN1: 0.000; Oscil: 0.569; Stabil: 1.000; Sysdev: 0.000; Positv: 1.000; Valcen: 0.952; Smooth: 0.995

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4. Crystallography & Experiment

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5. Entities & Polymer Info (5)

Entity 1 polymer

description	L-FUCULOSE 1-PHOSPHATE ALDOLASE
formula_weight	23772.3 kDa
ec_number	4.1.2.17
mutation	YES
src_method	man
entity_count	1

Polymer

type	polypeptide(L)
strand_id	P
atom_count	1746

MERNKLARQIIDTCLEMTRLGLNQGTAGNVSVRYQDGMLITPTGIPYEKLTESHIVFIDGNGKHEEGKLPSSQWRFHMAAYQSRPDANAVVHNHAVHCTAVSILNRSIPAIHFMIAAAGGNSIPCAPYATFGTRELSEHVALALKNRKATLLQHHGLIACEVNLEKALWLAHEVEVLAQLYLTTLAITDPVPVLSDEEIAVVLEKFKTFGLRIEE

Source

organism	ESCHERICHIA COLI
ncbi_taxonomy_id	562
host_organism	ESCHERICHIA COLI

Entity 2 non-polymer

description	BETA-MERCAPTOETHANOL
formula_weight	78.1 kDa
src_method	syn
entity_count	1

Entity 3 non-polymer

description	1,3-DIHYDROXYACETONEPHOSPHATE
formula_weight	170.1 kDa
src_method	syn
entity_count	1

Entity 4 non-polymer

description	ZINC ION
formula_weight	65.4 kDa
src_method	syn
entity_count	1

Entity 5 water

description	water
formula_weight	18.0 kDa
src_method	nat
entity_count	110

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6. Citations (4)

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length_a	93.700 Å
length_b	93.700 Å
length_c	43.200 Å
angle_alpha	90.00 °
angle_beta	90.00 °
angle_gamma	90.00 °
z_pdb	8

space_group	P 4 21 2
int_tables_number	90
crystal_system	—

resolution	1.970 Å
resolution_low	10.000 Å
r_factor	—
r_work	0.1710
r_free	0.2210

fit	/app/data/saxs_computation/e4/1e48/1e48.fit
pddf	/app/data/pr_computation/e4/1e48/1e48.pr.out
profile	/app/data/saxs_computation/e4/1e48/1e48.dat