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1d7o

CRYSTAL STRUCTURE OF BRASSICA NAPUS ENOYL ACYL CARRIER PROTEIN REDUCTASE COMPLEXED WITH NAD AND TRICLOSAN

Method: X-RAY DIFFRACTION D_max: 65.0 Å Quality: GOOD

SAXS Profile

P(r) Distribution

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1. Structure Basics

entry_id	1d7o
deposition_date	1999-10-19
title	CRYSTAL STRUCTURE OF BRASSICA NAPUS ENOYL ACYL CARRIER PROTEIN REDUCTASE COMPLEXED WITH NAD AND TRICLOSAN
keywords	TRICLOSAN, ENOYL REDUCTASE, OXIDOREDUCTASE; 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	19.99 Å
rg_electron	18.99 Å
i0	17667500.00
molecular_weight	31758.0 kDa
excluded_volume	39711 Å³
envelope_volume	46319 Å³
shell_volume	20200 Å³
envelope_diameter	65.7 Å
shell_rg	25.63 Å
envelope_rg	19.43 Å
shape_rg	19.00 Å
total_rg	19.91 Å
total_atoms	2234
n_residues	297
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	65.0 Å
rg_real	19.89 Å
rg_real_error	0.39 Å
i0_real	1.7670e+07
i0_real_error	2.3440e+05
rg_reciprocal	19.91 Å
i0_reciprocal	17670000.0000
total_estimate	0.8082
solution_quality	GOOD a GOOD solution
n_peaks	3
r_peak_primary	25.6 Å
skewness	0.187
kurtosis	-0.317
angular_range	— – 0.4000 Å⁻¹
current_alpha	0.0000
highest_alpha	2963000.0000
n_real_points	72
gnom_version	4.1.3
quality_criteria	AN1: 0.000; Oscil: 0.835; Stabil: 0.999; Sysdev: 1.000; Positv: 1.000; Valcen: 1.000; Smooth: 0.000

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4. Crystallography & Experiment

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5. Entities & Polymer Info (4)

Entity 1 polymer

description	ENOYL-[ACYL-CARRIER PROTEIN] REDUCTASE (NADH) PRECURSOR
formula_weight	31394.5 kDa
ec_number	1.3.1.9
src_method	man
entity_count	1

Polymer

type	polypeptide(L)
strand_id	A
atom_count	2322

GLPIDLRGKRAFIAGIADDNGYGWAVAKSLAAAGAEILVGTWVPALNIFETSLRRGKFDQSRVLPDGSLMEIKKVYPLDAVFDNPEDVPEDVKANKRYAGSSNWTVQEAAECVRQDFGSIDILVHSLANGPEVSKPLLETSRKGYLAAISASSYSFVSLLSHFLPIMNPGGASISLTYIASERIIPGYGGGMSSAKAALESDTRVLAFEAGRKQNIRVNTISAGPLGSRAAKAIGFIDTMIEYSYNNAPIQKTLTADEVGNAAAFLVSPLASAITGATIYVDNGLNSMGVALDSPVF

Source

organism	Brassica napus
common_name	rape
ncbi_taxonomy_id	3708
host_organism	Escherichia coli

Entity 2 non-polymer

description	NICOTINAMIDE-ADENINE-DINUCLEOTIDE
formula_weight	663.4 kDa
src_method	syn
entity_count	1

Entity 3 non-polymer

description	TRICLOSAN
formula_weight	289.5 kDa
src_method	syn
entity_count	1

Entity 4 water

description	water
formula_weight	18.0 kDa
src_method	nat
entity_count	88

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6. Citations (2)

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length_a	70.500 Å
length_b	70.500 Å
length_c	118.000 Å
angle_alpha	90.00 °
angle_beta	90.00 °
angle_gamma	90.00 °
z_pdb	8

space_group	P 42 21 2
int_tables_number	94
crystal_system	—

resolution	1.900 Å
resolution_low	10.000 Å
r_factor	—
r_work	0.1620
r_free	0.2250

fit	/app/data/saxs_computation/d7/1d7o/1d7o.fit
pddf	/app/data/pr_computation/d7/1d7o/1d7o.pr.out
profile	/app/data/saxs_computation/d7/1d7o/1d7o.dat

CRYSTAL STRUCTURE OF BRASSICA NAPUS ENOYL ACYL CARRIER PROTEIN REDUCTASE COMPLEXED WITH NAD AND TRICLOSAN

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