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1e1k

ADRENODOXIN REDUCTASE in complex with NADP+ obtained by a soaking experiment

Method: X-RAY DIFFRACTION D_max: 78.5 Å Quality: GOOD

SAXS Profile

P(r) Distribution

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1. Structure Basics

entry_id	1e1k
deposition_date	2000-05-09
title	ADRENODOXIN REDUCTASE in complex with NADP+ obtained by a soaking experiment
keywords	OXIDOREDUCTASE, NADP+, FLAVOENZYME, ELECTRON TRANSFERASE; 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	24.39 Å
rg_electron	23.45 Å
i0	45492300.00
molecular_weight	51252.0 kDa
excluded_volume	63829 Å³
envelope_volume	75384 Å³
shell_volume	26684 Å³
envelope_diameter	81.4 Å
shell_rg	30.73 Å
envelope_rg	23.67 Å
shape_rg	23.45 Å
total_rg	24.29 Å
total_atoms	3606
n_residues	455
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	78.5 Å
rg_real	24.33 Å
rg_real_error	0.51 Å
i0_real	4.5490e+07
i0_real_error	6.0460e+05
rg_reciprocal	24.35 Å
i0_reciprocal	45490000.0000
total_estimate	0.8978
solution_quality	GOOD a GOOD solution
n_peaks	2
r_peak_primary	27.4 Å
skewness	0.281
kurtosis	-0.469
angular_range	— – 0.3250 Å⁻¹
current_alpha	0.0000
highest_alpha	12880000.0000
n_real_points	64
gnom_version	4.1.3
quality_criteria	AN1: 0.000; Oscil: 0.897; Stabil: 1.000; Sysdev: 1.000; Positv: 1.000; Valcen: 0.993; Smooth: 0.985

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4. Crystallography & Experiment

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5. Entities & Polymer Info (4)

Entity 1 polymer

description	ADRENODOXIN REDUCTASE
formula_weight	50360.4 kDa
src_method	man
entity_count	1

Polymer

type	polypeptide(L)
strand_id	A
atom_count	3959

STQEQTPQICVVGSGPAGFYTAQHLLKHHSRAHVDIYEKQLVPFGLVRFGVAPDHPEVKNVINTFTQTARSDRCAFYGNVEVGRDVTVQELQDAYHAVVLSYGAEDHQALDIPGEELPGVFSARAFVGWYNGLPENRELAPDLSCDTAVILGQGNVALDVARILLTPPDHLEKTDITEAALGALRQSRVKTVWIVGRRGPLQVAFTIKELREMIQLPGTRPMLDPADFLGLQDRIKEAARPRKRLMELLLRTATEKPGVEEAARRASASRAWGLRFFRSPQQVLPSPDGRRAAGIRLAVTRLEGIGEATRAVPTGDVEDLPCGLVLSSIGYKSRPIDPSVPFDPKLGVVPNMEGRVVDVPGLYCSGWVKRGPTGVITTTMTDSFLTGQILLQDLKAGHLPSGPRPGSAFIKALLDSRGVWPVSFSDWEKLDAEEVSRGQASGKPREKLLDPQEMLRLLGH

Source

organism	BOVINE
ncbi_taxonomy_id	9913
host_organism	ESCHERICHIA COLI

Entity 2 non-polymer

description	FLAVIN-ADENINE DINUCLEOTIDE
formula_weight	785.5 kDa
src_method	syn
entity_count	1

Entity 3 non-polymer

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

Entity 4 water

description	water
formula_weight	18.0 kDa
src_method	nat
entity_count	346

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6. Citations (3)

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length_a	60.900 Å
length_b	62.400 Å
length_c	78.200 Å
angle_alpha	90.00 °
angle_beta	106.60 °
angle_gamma	90.00 °
z_pdb	2

space_group	P 1 21 1
int_tables_number	4
crystal_system	—

resolution	1.950 Å
resolution_low	20.000 Å
r_factor	—
r_work	0.1840
r_free	0.2270

fit	/app/data/saxs_computation/e1/1e1k/1e1k.fit
pddf	/app/data/pr_computation/e1/1e1k/1e1k.pr.out
profile	/app/data/saxs_computation/e1/1e1k/1e1k.dat

ADRENODOXIN REDUCTASE in complex with NADP+ obtained by a soaking experiment

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