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1e46

L-Fuculose 1-Phosphate Aldolase from Escherichia coli Mutant E73S

Method: X-RAY DIFFRACTION D_max: 62.2 Å Quality: GOOD

SAXS Profile

P(r) Distribution

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1. Structure Basics

entry_id	1e46
deposition_date	2000-06-30
title	L-Fuculose 1-Phosphate Aldolase from Escherichia coli Mutant E73S
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	17.89 Å
rg_electron	17.16 Å
i0	9740510.00
molecular_weight	22862.0 kDa
excluded_volume	28542 Å³
envelope_volume	32869 Å³
shell_volume	16319 Å³
envelope_diameter	62.1 Å
shell_rg	23.04 Å
envelope_rg	17.58 Å
shape_rg	17.17 Å
total_rg	18.05 Å
total_atoms	1600
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	62.2 Å
rg_real	17.86 Å
rg_real_error	0.50 Å
i0_real	9.7410e+06
i0_real_error	1.3200e+05
rg_reciprocal	17.86 Å
i0_reciprocal	9741000.0000
total_estimate	0.8527
solution_quality	GOOD a GOOD solution
n_peaks	1
r_peak_primary	60.5 Å
skewness	0.380
kurtosis	-0.108
angular_range	— – 0.4450 Å⁻¹
current_alpha	0.0000
highest_alpha	3045000.0000
n_real_points	75
gnom_version	4.1.3
quality_criteria	AN1: 0.000; Oscil: 0.700; Stabil: 0.999; Sysdev: 1.000; Positv: 1.000; Valcen: 0.992; Smooth: 0.991

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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	23763.3 kDa
ec_number	4.1.2.17
mutation	YES
src_method	man
entity_count	1

Polymer

type	polypeptide(L)
strand_id	P
atom_count	1715

MERNKLARQIIDTCLEMTRLGLNQGTAGNVSVRYQDGMLITPTGIPYEKLTESHIVFIDGNGKHEEGKLPSSSWRFHMAAYQSRPDANAVVHNHAVHCTAVSILNRSIPAIHYMIAAAGGNSIPCAPYATFGTRELSEHVALALKNRKATLLQHHGLIACEVNLEKALWLAHEVEVLAQLYLTTLAITDPVPVLSDEEIAVVLEKFKTYGLRIEE

Source

organism	ESCHERICHIA COLI
ncbi_taxonomy_id	562
host_organism	ESCHERICHIA COLI

Entity 2 non-polymer

description	SULFATE ION
formula_weight	96.1 kDa
src_method	syn
entity_count	1

Entity 3 non-polymer

description	BETA-MERCAPTOETHANOL
formula_weight	78.1 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	100

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6. Citations (4)

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length_a	94.100 Å
length_b	94.100 Å
length_c	43.500 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	2.550 Å
resolution_low	10.000 Å
r_factor	—
r_work	0.1490
r_free	0.2290

fit	/app/data/saxs_computation/e4/1e46/1e46.fit
pddf	/app/data/pr_computation/e4/1e46/1e46.pr.out
profile	/app/data/saxs_computation/e4/1e46/1e46.dat