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1bqe

FERREDOXIN:NADP+ REDUCTASE MUTANT WITH THR 155 REPLACED BY GLY (T155G)

Method: X-RAY DIFFRACTION D_max: 62.9 Å Quality: EXCELLENT

SAXS Profile

P(r) Distribution

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1. Structure Basics

entry_id	1bqe
deposition_date	1998-08-14
title	FERREDOXIN:NADP+ REDUCTASE MUTANT WITH THR 155 REPLACED BY GLY (T155G)
keywords	OXIDOREDUCTASE, FLAVOPROTEIN, NADP, FAD, FNR, NADP REDUCTASE; 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	20.61 Å
rg_electron	19.44 Å
i0	20316200.00
molecular_weight	33994.0 kDa
excluded_volume	42405 Å³
envelope_volume	49657 Å³
shell_volume	21128 Å³
envelope_diameter	63.3 Å
shell_rg	26.10 Å
envelope_rg	19.75 Å
shape_rg	19.45 Å
total_rg	20.29 Å
total_atoms	2393
n_residues	295
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	62.9 Å
rg_real	20.50 Å
rg_real_error	0.27 Å
i0_real	2.0320e+07
i0_real_error	2.3240e+05
rg_reciprocal	20.52 Å
i0_reciprocal	20320000.0000
total_estimate	0.9071
solution_quality	EXCELLENT a EXCELLENT solution
n_peaks	2
r_peak_primary	24.6 Å
skewness	0.170
kurtosis	-0.455
angular_range	— – 0.3850 Å⁻¹
current_alpha	0.0000
highest_alpha	3191000.0000
n_real_points	70
gnom_version	4.1.3
quality_criteria	AN1: 0.000; Oscil: 0.937; Stabil: 1.000; Sysdev: 1.000; Positv: 1.000; Valcen: 0.988; Smooth: 0.990

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4. Crystallography & Experiment

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5. Entities & Polymer Info (4)

Entity 1 polymer

description	FERREDOXIN--NADP REDUCTASE
formula_weight	33158.7 kDa
ec_number	1.18.1.2
mutation	T155G
src_method	man
entity_count	1

Polymer

type	polypeptide(L)
strand_id	A
atom_count	2660

DVPVNLYRPNAPFIGKVISNEPLVKEGGIGIVQHIKFDLTGGNLKYIEGQSIGIIPPGVDKNGKPEKLRLYSIASTRHGDDVDDKTISLCVRQLEYKHPESGETVYGVCSTYLTHIEPGSEVKITGPVGKEMLLPDDPEANVIMLAGGTGIAPMRTYLWRMFKDAERAANPEYQFKGFSWLVFGVPTTPNILYKEELEEIQQKYPDNFRLTYAISREQKNPQGGRMYIQDRVAEHADQLWQLIKNQKTHTYICGLRGMEEGIDAALSAAAAKEGVTWSDYQKDLKKAGRWHVETY

Source

organism	Nostoc sp.
ncbi_taxonomy_id	1168
host_organism	Escherichia coli

Entity 2 non-polymer

description	SULFATE ION
formula_weight	96.1 kDa
src_method	syn
entity_count	1

Entity 3 non-polymer

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

Entity 4 water

description	water
formula_weight	18.0 kDa
src_method	nat
entity_count	267

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6. Citations (2)

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length_a	88.130 Å
length_b	88.130 Å
length_c	97.250 Å
angle_alpha	90.00 °
angle_beta	90.00 °
angle_gamma	120.00 °
z_pdb	6

space_group	P 65
int_tables_number	170
crystal_system	—

resolution	2.450 Å
resolution_low	9.000 Å
r_factor	0.1600
r_work	0.1600
r_free	0.2400

fit	/app/data/saxs_computation/bq/1bqe/1bqe.fit
pddf	/app/data/pr_computation/bq/1bqe/1bqe.pr.out
profile	/app/data/saxs_computation/bq/1bqe/1bqe.dat

FERREDOXIN:NADP+ REDUCTASE MUTANT WITH THR 155 REPLACED BY GLY (T155G)

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