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1f3p

FERREDOXIN REDUCTASE (BPHA4)-NADH COMPLEX

Method: X-RAY DIFFRACTION D_max: 70.0 Å Quality: EXCELLENT

SAXS Profile

P(r) Distribution

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1. Structure Basics

entry_id	1f3p
deposition_date	2000-06-06
title	FERREDOXIN REDUCTASE (BPHA4)-NADH COMPLEX
keywords	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	22.79 Å
rg_electron	21.96 Å
i0	34076500.00
molecular_weight	43696.0 kDa
excluded_volume	54228 Å³
envelope_volume	63655 Å³
shell_volume	24102 Å³
envelope_diameter	71.6 Å
shell_rg	28.82 Å
envelope_rg	22.15 Å
shape_rg	21.96 Å
total_rg	22.78 Å
total_atoms	3073
n_residues	401
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	70.0 Å
rg_real	22.70 Å
rg_real_error	0.37 Å
i0_real	3.4080e+07
i0_real_error	4.1700e+05
rg_reciprocal	22.73 Å
i0_reciprocal	34080000.0000
total_estimate	0.9099
solution_quality	EXCELLENT a EXCELLENT solution
n_peaks	2
r_peak_primary	25.4 Å
skewness	0.202
kurtosis	-0.546
angular_range	— – 0.3500 Å⁻¹
current_alpha	0.0000
highest_alpha	9385000.0000
n_real_points	67
gnom_version	4.1.3
quality_criteria	AN1: 0.000; Oscil: 0.951; Stabil: 1.000; Sysdev: 1.000; Positv: 1.000; Valcen: 0.998; Smooth: 0.974

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4. Crystallography & Experiment

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5. Entities & Polymer Info (4)

Entity 1 polymer

description	FERREDOXIN REDUCTASE
formula_weight	43221.2 kDa
ec_number	1.14.-.-
src_method	man
entity_count	1

Polymer

type	polypeptide(L)
strand_id	A
atom_count	3154

MSQEALKAPVVVLGAGLASVSFVAELRQAGYQGLITVVGDEAERPYDRPPLSKDFMAHGDAEKIRLDCKRAPEVEWLLGVTAQSFDPQAHTVALSDGRTLPYGTLVLATGAAPRALPTLQGATMPVHTLRTLEDARRIQAGLRPQSRLLIVGGGVIGLELAATARTAGVHVSLVETQPRLMSRAAPATLADFVARYHAAQGVDLRFERSVTGSVDGVVLLDDGTRIAADMVVVGIGVLANDALARAAGLACDDGIFVDAYGRTTCPDVYALGDVTRQRNPLSGRFERIETWSNAQNQGIAVARHLVDPTAPGYAELPWYWSDQGALRIQVAGLASGDEEIVRGEVSLDAPKFTLIELQKGRIVGATCVNNARDFAPLRRLLAVGAKPDRAALADPATDLRKLAAAVAA

Source

organism	Pseudomonas sp.
ncbi_taxonomy_id	307
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	NICOTINAMIDE-ADENINE-DINUCLEOTIDE
formula_weight	663.4 kDa
src_method	syn
entity_count	1

Entity 4 water

description	water
formula_weight	18.0 kDa
src_method	nat
entity_count	81

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6. Citations (2)

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length_a	98.900 Å
length_b	98.900 Å
length_c	170.900 Å
angle_alpha	90.00 °
angle_beta	90.00 °
angle_gamma	120.00 °
z_pdb	12

space_group	P 61 2 2
int_tables_number	178
crystal_system	—

resolution	2.400 Å
resolution_low	38.000 Å
r_factor	0.2130
r_work	0.2050
r_free	0.2910

fit	/app/data/saxs_computation/f3/1f3p/1f3p.fit
pddf	/app/data/pr_computation/f3/1f3p/1f3p.pr.out
profile	/app/data/saxs_computation/f3/1f3p/1f3p.dat

FERREDOXIN REDUCTASE (BPHA4)-NADH COMPLEX

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