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1e1l

STRUCTURE OF ADRENODOXIN REDUCTASE IN COMPLEX WITH NADP obtained by cocrystallisation

Method: X-RAY DIFFRACTION D_max: 77.8 Å Quality: REASONABLE

SAXS Profile

P(r) Distribution

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1. Structure Basics

entry_id	1e1l
deposition_date	2000-05-09
title	STRUCTURE OF ADRENODOXIN REDUCTASE IN COMPLEX WITH NADP obtained by cocrystallisation
keywords	OXIDOREDUCTASE, NADP, ELECTRON TRANSFERASE, FLAVOENZYME; 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	24.91 Å
rg_electron	23.91 Å
i0	45802000.00
molecular_weight	51252.0 kDa
excluded_volume	63829 Å³
envelope_volume	79742 Å³
shell_volume	27708 Å³
envelope_diameter	82.6 Å
shell_rg	31.29 Å
envelope_rg	24.03 Å
shape_rg	23.91 Å
total_rg	24.79 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	77.8 Å
rg_real	24.84 Å
rg_real_error	0.41 Å
i0_real	4.5800e+07
i0_real_error	6.1670e+05
rg_reciprocal	24.86 Å
i0_reciprocal	45800000.0000
total_estimate	0.7184
solution_quality	REASONABLE a REASONABLE solution
n_peaks	2
r_peak_primary	28.4 Å
skewness	0.270
kurtosis	-0.490
angular_range	— – 0.3200 Å⁻¹
current_alpha	0.0000
highest_alpha	13570000.0000
n_real_points	64
gnom_version	4.1.3
quality_criteria	AN1: 0.000; Oscil: 0.932; Stabil: 1.000; Sysdev: 0.184; Positv: 1.000; Valcen: 0.998; Smooth: 0.989

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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
ec_number	1.18.1.2
src_method	man
entity_count	1

Polymer

type	polypeptide(L)
strand_id	A
atom_count	3715

STQEQTPQICVVGSGPAGFYTAQHLLKHHSRAHVDIYEKQLVPFGLVRFGVAPDHPEVKNVINTFTQTARSDRCAFYGNVEVGRDVTVQELQDAYHAVVLSYGAEDHQALDIPGEELPGVFSARAFVGWYNGLPENRELAPDLSCDTAVILGQGNVALDVARILLTPPDHLEKTDITEAALGALRQSRVKTVWIVGRRGPLQVAFTIKELREMIQLPGTRPMLDPADFLGLQDRIKEAARPRKRLMELLLRTATEKPGVEEAARRASASRAWGLRFFRSPQQVLPSPDGRRAAGIRLAVTRLEGIGEATRAVPTGDVEDLPCGLVLSSIGYKSRPIDPSVPFDPKLGVVPNMEGRVVDVPGLYCSGWVKRGPTGVITTTMTDSFLTGQILLQDLKAGHLPSGPRPGSAFIKALLDSRGVWPVSFSDWEKLDAEEVSRGQASGKPREKLLDPQEMLRLLGH

Source

organism	BOS TAURUS
common_name	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	109

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6. Citations (3)

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length_a	59.500 Å
length_b	62.800 Å
length_c	85.300 Å
angle_alpha	90.00 °
angle_beta	108.20 °
angle_gamma	90.00 °
z_pdb	2

space_group	P 1 21 1
int_tables_number	4
crystal_system	—

resolution	2.300 Å
resolution_low	15.000 Å
r_factor	—
r_work	0.2190
r_free	0.2790

fit	/app/data/saxs_computation/e1/1e1l/1e1l.fit
pddf	/app/data/pr_computation/e1/1e1l/1e1l.pr.out
profile	/app/data/saxs_computation/e1/1e1l/1e1l.dat

STRUCTURE OF ADRENODOXIN REDUCTASE IN COMPLEX WITH NADP obtained by cocrystallisation

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