← Back to search

1ddg

CRYSTAL STRUCTURE OF SIR-FP60

Method: X-RAY DIFFRACTION D_max: 165.9 Å Quality: REASONABLE

SAXS Profile

P(r) Distribution

▼

1. Structure Basics

entry_id	1ddg
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

▼

Download Data

SAXS curve (.dat) P(r) distribution (.pr.out) Structure (CIF)

▼

2. SAXS Parameters (CRYSOL)

rg_guinier	57.23 Å
rg_electron	57.60 Å
i0	108675000.00
molecular_weight	86192.0 kDa
excluded_volume	107230 Å³
envelope_volume	183760 Å³
shell_volume	26447 Å³
envelope_diameter	165.5 Å
shell_rg	64.96 Å
envelope_rg	52.62 Å
shape_rg	57.61 Å
total_rg	57.78 Å
total_atoms	6087
n_residues	748
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

▼

3. P(r) Analysis (GNOM)

dmax	165.9 Å
rg_real	57.74 Å
rg_real_error	1.67 Å
i0_real	1.0870e+08
i0_real_error	2.1000e+06
rg_reciprocal	56.69 Å
i0_reciprocal	108500000.0000
total_estimate	0.5459
solution_quality	REASONABLE a REASONABLE solution
n_peaks	2
r_peak_primary	30.7 Å
skewness	0.074
kurtosis	-1.566
angular_range	— – 0.1350 Å⁻¹
current_alpha	0.0000
highest_alpha	2426000.0000
n_real_points	28
gnom_version	4.1.3
quality_criteria	AN1: 0.000; Oscil: 0.005; Stabil: 1.000; Sysdev: 1.000; Positv: 1.000; Valcen: 0.079; Smooth: 0.000

▶

4. Crystallography & Experiment

▶

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	2

Polymer

type	polypeptide(L)
strand_id	A,B
atom_count	6697

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	2

Entity 3 non-polymer

description	SULFATE ION
formula_weight	96.1 kDa
src_method	syn
entity_count	1

Entity 4 water

description	water
formula_weight	18.0 kDa
src_method	nat
entity_count	548

▶

6. Citations (1)

▶

length_a	34.840 Å
length_b	82.540 Å
length_c	105.360 Å
angle_alpha	79.71 °
angle_beta	83.05 °
angle_gamma	89.90 °
z_pdb	2

space_group	P 1
int_tables_number	1
crystal_system	—

resolution	2.010 Å
resolution_low	10.000 Å
r_factor	—
r_work	—
r_free	0.2890

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