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1eua

SCHIFF BASE INTERMEDIATE IN KDPG ALDOLASE FROM ESCHERICHIA COLI

Method: X-RAY DIFFRACTION D_max: 82.2 Å Quality: REASONABLE

SAXS Profile

P(r) Distribution

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1. Structure Basics

entry_id	1eua
deposition_date	2000-04-14
title	SCHIFF BASE INTERMEDIATE IN KDPG ALDOLASE FROM ESCHERICHIA COLI
keywords	BETA BARREL, TRIMER, CARBINOLAMINE, 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	27.32 Å
rg_electron	26.21 Å
i0	68520700.00
molecular_weight	67517.0 kDa
excluded_volume	85887 Å³
envelope_volume	101600 Å³
shell_volume	32240 Å³
envelope_diameter	82.2 Å
shell_rg	33.87 Å
envelope_rg	26.37 Å
shape_rg	26.20 Å
total_rg	27.07 Å
total_atoms	4739
n_residues	639
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	82.2 Å
rg_real	27.21 Å
rg_real_error	0.41 Å
i0_real	6.8520e+07
i0_real_error	8.6210e+05
rg_reciprocal	27.24 Å
i0_reciprocal	68520000.0000
total_estimate	0.7460
solution_quality	REASONABLE a REASONABLE solution
n_peaks	1
r_peak_primary	31.2 Å
skewness	0.177
kurtosis	-0.658
angular_range	— – 0.2900 Å⁻¹
current_alpha	0.0000
highest_alpha	23850000.0000
n_real_points	59
gnom_version	4.1.3
quality_criteria	AN1: 0.000; Oscil: 0.975; Stabil: 1.000; Sysdev: 0.267; Positv: 1.000; Valcen: 1.000; Smooth: 0.968

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4. Crystallography & Experiment

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5. Entities & Polymer Info (5)

Entity 1 polymer

description	KDPG ALDOLASE
formula_weight	22305.0 kDa
ec_number	4.1.2.14
src_method	nat
entity_count	3

Polymer

type	polypeptide(L)
strand_id	A,B,C
atom_count	5355

MKNWKTSAESILTTGPVVPVIVVKKLEHAVPMAKALVAGGVRVLEVTLRTECAVDAIRAIAKEVPEAIVGAGTVLNPQQLAEVTEAGAQFAISPGLTEPLLKAATEGTIPLIPGISTVSELMLGMDYGLKEFKFFPAEANGGVKALQAIAGPFSQVRFCPTGGISPANYRDYLALKSVLCIGGSWLVPADALEAGDYDRITKLAREAVEGAKL

Entity 2 non-polymer

description	ACETATE ION
formula_weight	59.0 kDa
src_method	syn
entity_count	2

Entity 3 non-polymer

description	SULFATE ION
formula_weight	96.1 kDa
src_method	syn
entity_count	3

Entity 4 non-polymer

description	PYRUVIC ACID
formula_weight	88.1 kDa
src_method	syn
entity_count	3

Entity 5 water

description	water
formula_weight	18.0 kDa
src_method	nat
entity_count	616

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6. Citations (1)

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length_a	54.410 Å
length_b	85.720 Å
length_c	133.190 Å
angle_alpha	90.00 °
angle_beta	90.00 °
angle_gamma	90.00 °
z_pdb	12

space_group	P 21 21 21
int_tables_number	19
crystal_system	—

resolution	1.950 Å
resolution_low	50.370 Å
r_factor	0.2010
r_work	0.2010
r_free	0.2430

fit	/app/data/saxs_computation/eu/1eua/1eua.fit
pddf	/app/data/pr_computation/eu/1eua/1eua.pr.out
profile	/app/data/saxs_computation/eu/1eua/1eua.dat

SCHIFF BASE INTERMEDIATE IN KDPG ALDOLASE FROM ESCHERICHIA 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