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1ddi

CRYSTAL STRUCTURE OF SIR-FP60

Method: X-RAY DIFFRACTION D_max: 74.2 Å Quality: EXCELLENT

SAXS Profile

P(r) Distribution

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1. Structure Basics

entry_id	1ddi
deposition_date	1999-11-10
title	CRYSTAL STRUCTURE OF SIR-FP60
keywords	CYTOCHROME P450 REDUCTASE, FNR, FLAVOPROTEIN, MODULAR PROTEIN, 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	23.56 Å
rg_electron	22.87 Å
i0	31230700.00
molecular_weight	42092.0 kDa
excluded_volume	52274 Å³
envelope_volume	62840 Å³
shell_volume	23179 Å³
envelope_diameter	77.3 Å
shell_rg	29.61 Å
envelope_rg	22.98 Å
shape_rg	22.87 Å
total_rg	23.66 Å
total_atoms	2976
n_residues	374
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	74.2 Å
rg_real	23.54 Å
rg_real_error	0.42 Å
i0_real	3.1230e+07
i0_real_error	3.7750e+05
rg_reciprocal	23.54 Å
i0_reciprocal	31230000.0000
total_estimate	0.9029
solution_quality	EXCELLENT a EXCELLENT solution
n_peaks	2
r_peak_primary	25.5 Å
skewness	0.314
kurtosis	-0.424
angular_range	— – 0.3350 Å⁻¹
current_alpha	0.0000
highest_alpha	6610000.0000
n_real_points	65
gnom_version	4.1.3
quality_criteria	AN1: 0.000; Oscil: 0.929; Stabil: 1.000; Sysdev: 1.000; Positv: 1.000; Valcen: 0.996; Smooth: 0.952

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4. Crystallography & Experiment

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5. Entities & Polymer Info (4)

Entity 1 polymer

description	SULFITE REDUCTASE [NADPH] FLAVOPROTEIN ALPHA-COMPONENT
formula_weight	42329.5 kDa
ec_number	1.8.1.2
src_method	man
entity_count	1

Polymer

type	polypeptide(L)
strand_id	A
atom_count	3247

IHTSPYSKDAPLVASLSVNQKITGRNSEKDVRHIEIDLGDSGLRYQPGDALGVWYQNDPALVKELVELLWLKGDEPVTVEGKTLPLNEALQWHFELTVNTANIVENYATLTRSETLLPLVGDKAKLQHYAATTPIVDMVRFSPAQLDAEALINLLRPLTPRLYSIASSQAEVENEVHVTVGVVRYDVEGRARAGGASSFLADRVEEEGEVRVFIEHNDNFRLPANPETPVIMIGPGTGIAPFRAFMQQRAADEAPGKNWLFFGNPHFTEDFLYQVEWQRYVKEGVLTRIDLAWSRDQKEKVYVQDKLREQGAELWRWINDGAHIYVCGDANRMAKDVEQALLEVIAEFGGMDTEAADEFLSELRVERRYQRDVY

Source

organism	Escherichia coli
ncbi_taxonomy_id	562
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	271

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6. Citations (1)

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length_a	98.610 Å
length_b	98.610 Å
length_c	123.940 Å
angle_alpha	90.00 °
angle_beta	90.00 °
angle_gamma	120.00 °
z_pdb	6

space_group	P 31 2 1
int_tables_number	152
crystal_system	—

resolution	2.510 Å
resolution_low	20.000 Å
r_factor	—
r_work	0.1850
r_free	0.2450

fit	/app/data/saxs_computation/dd/1ddi/1ddi.fit
pddf	/app/data/pr_computation/dd/1ddi/1ddi.pr.out
profile	/app/data/saxs_computation/dd/1ddi/1ddi.dat

CRYSTAL STRUCTURE OF SIR-FP60

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