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1ebl

;THE 1.8 A CRYSTAL STRUCTURE AND ACTIVE SITE ARCHITECTURE OF BETA-KETOACYL-[ACYL CARRIER PROTEIN] SYNTHASE III (FABH) FROM ESCHERICHIA COLI ;

Method: X-RAY DIFFRACTION D_max: 79.0 Å Quality: EXCELLENT

SAXS Profile

P(r) Distribution

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1. Structure Basics

entry_id	1ebl
deposition_date	2000-01-24
title	;THE 1.8 A CRYSTAL STRUCTURE AND ACTIVE SITE ARCHITECTURE OF BETA-KETOACYL-[ACYL CARRIER PROTEIN] SYNTHASE III (FABH) FROM ESCHERICHIA COLI ;
keywords	;ACYLTRANSFERASE, CONDENSING ENZYME, FATTY ACID SYNTHESIS, LIPID METABOLISM, ALPHA-BETA PROTEIN, FIVE-LAYERED FOLD, COENZYME A BINDING PROTEIN, HELIX DIPOLE, MALONYL COA DECARBOXYLATING ENZYME, TRANSFERASE ;; TRANSFERASE
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	25.27 Å
rg_electron	24.03 Å
i0	85460200.00
molecular_weight	69308.0 kDa
excluded_volume	85134 Å³
envelope_volume	96244 Å³
shell_volume	32358 Å³
envelope_diameter	82.0 Å
shell_rg	32.29 Å
envelope_rg	24.28 Å
shape_rg	24.00 Å
total_rg	24.91 Å
total_atoms	4798
n_residues	618
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	79.0 Å
rg_real	25.18 Å
rg_real_error	0.30 Å
i0_real	8.5460e+07
i0_real_error	1.0180e+06
rg_reciprocal	25.21 Å
i0_reciprocal	85460000.0000
total_estimate	0.9007
solution_quality	EXCELLENT a EXCELLENT solution
n_peaks	2
r_peak_primary	31.3 Å
skewness	0.259
kurtosis	-0.370
angular_range	— – 0.3150 Å⁻¹
current_alpha	0.0000
highest_alpha	18260000.0000
n_real_points	64
gnom_version	4.1.3
quality_criteria	AN1: 0.000; Oscil: 0.912; Stabil: 1.000; Sysdev: 1.000; Positv: 1.000; Valcen: 0.999; Smooth: 0.970

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4. Crystallography & Experiment

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5. Entities & Polymer Info (3)

Entity 1 polymer

description	BETA-KETOACYL-ACP SYNTHASE III
formula_weight	33923.1 kDa
ec_number	2.3.1.41
src_method	man
entity_count	2

Polymer

type	polypeptide(L)
strand_id	A,B
atom_count	5502

MYTKIIGTGSYLPEQVRTNADLEKMVDTSDEWIVTRTGIRERHIAAPNETVSTMGFEAATRAIEMAGIEKDQIGLIVVATTSATHAFPSAACQIQSMLGIKGCPAFDVAAACAGFTYALSVADQYVKSGAVKYALVVGSDVLARTCDPTDRGTIIIFGDGAGAAVLAASEEPGIISTHLHADGSYGELLTLPNADRVNPENSIHLTMAGNEVFKVAVTELAHIVDETLAANNNDRSQLDWLVPHQANLRIISATAKKLGMSMDNVVVTLDRHGNTSAASVPCALDEAVRDGRIKPGQLVLLEAFGGGFTWGSALVRF

Source

organism	Escherichia coli
ncbi_taxonomy_id	562
host_organism	Escherichia coli

Entity 2 non-polymer

description	COENZYME A
formula_weight	767.5 kDa
src_method	syn
entity_count	2

Entity 3 water

description	water
formula_weight	18.0 kDa
src_method	nat
entity_count	704

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6. Citations (2)

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length_a	63.130 Å
length_b	64.300 Å
length_c	165.920 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	1.800 Å
resolution_low	20.000 Å
r_factor	0.1890
r_work	0.1870
r_free	0.2250

fit	/app/data/saxs_computation/eb/1ebl/1ebl.fit
pddf	/app/data/pr_computation/eb/1ebl/1ebl.pr.out
profile	/app/data/saxs_computation/eb/1ebl/1ebl.dat

;THE 1.8 A CRYSTAL STRUCTURE AND ACTIVE SITE ARCHITECTURE OF BETA-KETOACYL-[ACYL CARRIER PROTEIN] SYNTHASE III (FABH) 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