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1dfg

X-RAY STRUCTURE OF ESCHERICHIA COLI ENOYL REDUCTASE WITH BOUND NAD AND BENZO-DIAZABORINE

Method: X-RAY DIFFRACTION D_max: 77.7 Å Quality: GOOD

SAXS Profile

P(r) Distribution

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1. Structure Basics

entry_id	1dfg
deposition_date	1997-01-16
title	X-RAY STRUCTURE OF ESCHERICHIA COLI ENOYL REDUCTASE WITH BOUND NAD AND BENZO-DIAZABORINE
keywords	OXIDOREDUCTASE, LIPID BIOSYNTHESIS, DIAZABORINE; OXIDOREDUCTASE
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	24.67 Å
rg_electron	23.80 Å
i0	54470600.00
molecular_weight	56089.0 kDa
excluded_volume	69643 Å³
envelope_volume	80372 Å³
shell_volume	27979 Å³
envelope_diameter	78.0 Å
shell_rg	31.33 Å
envelope_rg	23.95 Å
shape_rg	23.80 Å
total_rg	24.61 Å
total_atoms	3930
n_residues	514
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	77.7 Å
rg_real	24.64 Å
rg_real_error	0.46 Å
i0_real	5.4470e+07
i0_real_error	7.9170e+05
rg_reciprocal	24.64 Å
i0_reciprocal	54470000.0000
total_estimate	0.8919
solution_quality	GOOD a GOOD solution
n_peaks	2
r_peak_primary	27.1 Å
skewness	0.341
kurtosis	-0.360
angular_range	— – 0.3200 Å⁻¹
current_alpha	0.0000
highest_alpha	12860000.0000
n_real_points	64
gnom_version	4.1.3
quality_criteria	AN1: 0.000; Oscil: 0.913; Stabil: 1.000; Sysdev: 1.000; Positv: 1.000; Valcen: 0.997; Smooth: 0.857

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4. Crystallography & Experiment

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5. Entities & Polymer Info (3)

Entity 1 polymer

description	ENOYL ACYL CARRIER PROTEIN REDUCTASE
formula_weight	27761.7 kDa
ec_number	1.3.1.9
src_method	man
entity_count	2

Polymer

type	polypeptide(L)
strand_id	A,B
atom_count	3930

GFLSGKRILVTGVASKLSIAYGIAQAMHREGAELAFTYQNDKLKGRVEEFAAQLGSDIVLQCDVAEDASIDTMFAELGKVWPKFDGFVHSIGFAPGDQLDGDYVNAVTREGFKIAHDISSYSFVAMAKACRSMLNPGSALLTLSYLGAERAIPNYNVMGLAKASLEANVRYMANAMGPEGVRVNAISAGPIRTLAASGIKDFRKMLAHCEAVTPIRRTVTIEDVGNSAAFLCSDLSAGISGEVVHVDGGFSIAAMNELELK

Source

organism	Escherichia coli
ncbi_taxonomy_id	562
host_organism	Escherichia coli BL21

Entity 2 non-polymer

description	NICOTINAMIDE-ADENINE-DINUCLEOTIDE
formula_weight	663.4 kDa
src_method	syn
entity_count	2

Entity 3 non-polymer

description	2-(TOLUENE-4-SULFONYL)-2H-BENZO[D][1,2,3]DIAZABORININ-1-OL
formula_weight	300.1 kDa
src_method	syn
entity_count	2

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6. Citations (2)

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length_a	80.600 Å
length_b	80.600 Å
length_c	325.300 Å
angle_alpha	90.00 °
angle_beta	90.00 °
angle_gamma	120.00 °
z_pdb	24

space_group	P 61 2 2
int_tables_number	178
crystal_system	—

resolution	2.500 Å
resolution_low	10.000 Å
r_factor	—
r_work	0.1730
r_free	—

fit	/app/data/saxs_computation/df/1dfg/1dfg.fit
pddf	/app/data/pr_computation/df/1dfg/1dfg.pr.out
profile	/app/data/saxs_computation/df/1dfg/1dfg.dat

X-RAY STRUCTURE OF ESCHERICHIA COLI ENOYL REDUCTASE WITH BOUND NAD AND BENZO-DIAZABORINE

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