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1edo

THE X-RAY STRUCTURE OF BETA-KETO ACYL CARRIER PROTEIN REDUCTASE FROM BRASSICA NAPUS COMPLEXED WITH NADP+

Method: X-RAY DIFFRACTION D_max: 57.5 Å Quality: GOOD

SAXS Profile

P(r) Distribution

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1. Structure Basics

entry_id	1edo
deposition_date	2000-01-28
title	THE X-RAY STRUCTURE OF BETA-KETO ACYL CARRIER PROTEIN REDUCTASE FROM BRASSICA NAPUS COMPLEXED WITH NADP+
keywords	nucleotide fold, rossmann fold, 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	17.99 Å
rg_electron	17.06 Å
i0	11860900.00
molecular_weight	25316.0 kDa
excluded_volume	31592 Å³
envelope_volume	35722 Å³
shell_volume	17429 Å³
envelope_diameter	57.0 Å
shell_rg	23.30 Å
envelope_rg	17.42 Å
shape_rg	17.08 Å
total_rg	17.99 Å
total_atoms	1770
n_residues	244
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	57.5 Å
rg_real	17.88 Å
rg_real_error	0.31 Å
i0_real	1.1860e+07
i0_real_error	1.1980e+05
rg_reciprocal	17.90 Å
i0_reciprocal	11860000.0000
total_estimate	0.8919
solution_quality	GOOD a GOOD solution
n_peaks	2
r_peak_primary	22.5 Å
skewness	0.189
kurtosis	-0.354
angular_range	— – 0.4400 Å⁻¹
current_alpha	0.0000
highest_alpha	2231000.0000
n_real_points	75
gnom_version	4.1.3
quality_criteria	AN1: 0.000; Oscil: 0.866; Stabil: 1.000; Sysdev: 1.000; Positv: 1.000; Valcen: 0.992; Smooth: 0.999

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4. Crystallography & Experiment

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5. Entities & Polymer Info (3)

Entity 1 polymer

description	BETA-KETO ACYL CARRIER PROTEIN REDUCTASE
formula_weight	25359.4 kDa
src_method	man
entity_count	1

Polymer

type	polypeptide(L)
strand_id	A
atom_count	1894

SPVVVVTGASRGIGKAIALSLGKAGCKVLVNYARSAKAAEEVSKQIEAYGGQAITFGGDVSKEADVEAMMKTAIDAWGTIDVVVNNAGITRDTLLIRMKKSQWDEVIDLNLTGVFLCTQAATKIMMKKRKGRIINIASVVGLIGNIGQANYAAAKAGVIGFSKTAAREGASRNINVNVVCPGFIASDMTAKLGEDMEKKILGTIPLGRTGQPENVAGLVEFLALSPAASYITGQAFTIDGGIAI

Source

organism	Brassica napus
common_name	rape
ncbi_taxonomy_id	3708
host_organism	Escherichia coli

Entity 2 non-polymer

description	NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE
formula_weight	743.4 kDa
src_method	syn
entity_count	1

Entity 3 water

description	water
formula_weight	18.0 kDa
src_method	nat
entity_count	124

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6. Citations (2)

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length_a	129.280 Å
length_b	129.280 Å
length_c	92.640 Å
angle_alpha	90.00 °
angle_beta	90.00 °
angle_gamma	120.00 °
z_pdb	12

space_group	P 64 2 2
int_tables_number	181
crystal_system	—

resolution	2.300 Å
resolution_low	10.000 Å
r_factor	—
r_work	0.1900
r_free	0.2350

fit	/app/data/saxs_computation/ed/1edo/1edo.fit
pddf	/app/data/pr_computation/ed/1edo/1edo.pr.out
profile	/app/data/saxs_computation/ed/1edo/1edo.dat

THE X-RAY STRUCTURE OF BETA-KETO ACYL CARRIER PROTEIN REDUCTASE FROM BRASSICA NAPUS COMPLEXED WITH NADP+

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