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1bx1

FERREDOXIN:NADP+ OXIDOREDUCTASE (FERREDOXIN REDUCTASE) MUTANT E312Q

Method: X-RAY DIFFRACTION D_max: 63.7 Å Quality: EXCELLENT

SAXS Profile

P(r) Distribution

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1. Structure Basics

entry_id	1bx1
deposition_date	1998-10-10
title	FERREDOXIN:NADP+ OXIDOREDUCTASE (FERREDOXIN REDUCTASE) MUTANT E312Q
keywords	FLAVOPROTEIN, 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	20.75 Å
rg_electron	19.55 Å
i0	20648600.00
molecular_weight	34528.0 kDa
excluded_volume	43148 Å³
envelope_volume	50089 Å³
shell_volume	21198 Å³
envelope_diameter	64.0 Å
shell_rg	26.35 Å
envelope_rg	19.87 Å
shape_rg	19.56 Å
total_rg	20.43 Å
total_atoms	2419
n_residues	296
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	63.7 Å
rg_real	20.64 Å
rg_real_error	0.28 Å
i0_real	2.0650e+07
i0_real_error	2.4020e+05
rg_reciprocal	20.66 Å
i0_reciprocal	20650000.0000
total_estimate	0.9073
solution_quality	EXCELLENT a EXCELLENT solution
n_peaks	2
r_peak_primary	24.0 Å
skewness	0.182
kurtosis	-0.453
angular_range	— – 0.3850 Å⁻¹
current_alpha	0.0000
highest_alpha	3354000.0000
n_real_points	70
gnom_version	4.1.3
quality_criteria	AN1: 0.000; Oscil: 0.934; Stabil: 1.000; Sysdev: 1.000; Positv: 1.000; Valcen: 0.991; Smooth: 0.996

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4. Crystallography & Experiment

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5. Entities & Polymer Info (5)

Entity 1 polymer

description	PROTEIN (FERREDOXIN:NADP+ OXIDOREDUCTASE)
formula_weight	35428.8 kDa
ec_number	1.18.1.2
mutation	E312Q
src_method	man
entity_count	1

Polymer

type	polypeptide(L)
strand_id	A
atom_count	2640

QIASDVEAPPPAPAKVEKHSKKMEEGITVNKFKPKTPYVGRCLLNTKITGDDAPGETWHMVFSHEGEIPYREGQSVGVIPDGEDKNGKPHKLRLYSIASSALGDFGDAKSVSLCVKRLIYTNDAGETIKGVCSNFLCDLKPGAEVKLTGPVGKEMLMPKDPNATIIMLGTGTGIAPFRSFLWKMFFEKHDDYKFNGLAWLFLGVPTSSSLLYKEEFEKMKEKAPDNFRLDFAVSREQTNEKGEKMYIQTRMAQYAVELWEMLKKDNTYFYMCGLKGMEKGIDDIMVSLAAAEGIDWIEYKRQLKKAEQWNVQVY

Source

organism	Spinacia oleracea
common_name	spinach
ncbi_taxonomy_id	3562
host_organism	Escherichia coli

Entity 2 non-polymer

description	PHOSPHATE ION
formula_weight	95.0 kDa
src_method	syn
entity_count	1

Entity 3 non-polymer

description	SULFATE ION
formula_weight	96.1 kDa
src_method	syn
entity_count	1

Entity 4 non-polymer

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

Entity 5 water

description	water
formula_weight	18.0 kDa
src_method	nat
entity_count	221

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6. Citations (1)

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length_a	90.800 Å
length_b	58.000 Å
length_c	68.100 Å
angle_alpha	90.00 °
angle_beta	99.70 °
angle_gamma	90.00 °
z_pdb	4

space_group	C 1 2 1
int_tables_number	5
crystal_system	—

resolution	1.900 Å
resolution_low	10.000 Å
r_factor	0.1830
r_work	0.1830
r_free	—

fit	/app/data/saxs_computation/bx/1bx1/1bx1.fit
pddf	/app/data/pr_computation/bx/1bx1/1bx1.pr.out
profile	/app/data/saxs_computation/bx/1bx1/1bx1.dat