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1aog

TRYPANOSOMA CRUZI TRYPANOTHIONE REDUCTASE (OXIDIZED FORM)

Method: X-RAY DIFFRACTION D_max: 102.7 Å Quality: GOOD

SAXS Profile

P(r) Distribution

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1. Structure Basics

entry_id	1aog
deposition_date	1997-07-03
title	TRYPANOSOMA CRUZI TRYPANOTHIONE REDUCTASE (OXIDIZED FORM)
keywords	TRYPANOTHIONE REDUCTASE, FAD DEPENDENT DISULPHIDE OXIDOREDUCTASE, 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	31.83 Å
rg_electron	30.98 Å
i0	180078000.00
molecular_weight	107740.0 kDa
excluded_volume	135080 Å³
envelope_volume	165330 Å³
shell_volume	44256 Å³
envelope_diameter	107.4 Å
shell_rg	38.60 Å
envelope_rg	30.95 Å
shape_rg	30.98 Å
total_rg	31.59 Å
total_atoms	7569
n_residues	968
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	102.7 Å
rg_real	31.79 Å
rg_real_error	0.71 Å
i0_real	1.8010e+08
i0_real_error	2.6770e+06
rg_reciprocal	31.81 Å
i0_reciprocal	180100000.0000
total_estimate	0.8914
solution_quality	GOOD a GOOD solution
n_peaks	2
r_peak_primary	39.0 Å
skewness	0.339
kurtosis	-0.286
angular_range	— – 0.2500 Å⁻¹
current_alpha	0.0000
highest_alpha	38330000.0000
n_real_points	51
gnom_version	4.1.3
quality_criteria	AN1: 0.000; Oscil: 0.887; Stabil: 1.000; Sysdev: 1.000; Positv: 1.000; Valcen: 0.999; Smooth: 0.925

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4. Crystallography & Experiment

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5. Entities & Polymer Info (4)

Entity 1 polymer

description	TRYPANOTHIONE REDUCTASE
formula_weight	53175.8 kDa
ec_number	1.6.4.8
src_method	nat
entity_count	2

Polymer

type	polypeptide(L)
strand_id	A,B
atom_count	7988

SKIFDLVVIGAGSGGLEAAWNAATLYKKRVAVIDVQMVHGPPFFSALGGTCVNVGCVPKKLMVTGAQYMEHLRESAGFGWEFDRTTLRAEWKNLIAVKDEAVLNINKSYDEMFRDTEGLEFFLGWGSLESKNVVNVRESADPASAVKERLETEHILLASGSWPHMPNIPGIEHCISSNEAFYLPEPPRRVLTVGGGFISVEFAGIFNAYKPKDGQVTLCYRGEMILRGFDHTLREELTKQLTANGIQILTKENPAKVELNADGSKSVTFESGKKMDFDLVMMAIGRSPRTKDLQLQNAGVMIKNGGVQVDEYSRTNVSNIYAIGDVTNRVMLTPVAINEAAALVDTVFGTTPRKTDHTRVASAVFSIPPIGTCGLIEEVASKRYEVVAVYLSSFTPLMHKVSGSKYKTFVAKIITNHSDGTVLGVHLLGDNAPEIIQGIGICLKLNAKISDFYNTIGVHPTSAEELCSMRTPSYYYVKGEKMEKP

Entity 2 non-polymer

description	FLAVIN-ADENINE DINUCLEOTIDE
formula_weight	785.5 kDa
src_method	syn
entity_count	2

Entity 3 non-polymer

description	MALEIC ACID
formula_weight	116.1 kDa
src_method	syn
entity_count	2

Entity 4 water

description	water
formula_weight	18.0 kDa
src_method	nat
entity_count	419

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6. Citations (3)

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length_a	92.810 Å
length_b	92.810 Å
length_c	156.690 Å
angle_alpha	90.00 °
angle_beta	90.00 °
angle_gamma	90.00 °
z_pdb	8

space_group	P 43
int_tables_number	78
crystal_system	—

resolution	2.300 Å
resolution_low	8.000 Å
r_factor	0.1890
r_work	0.1890
r_free	—

fit	/app/data/saxs_computation/ao/1aog/1aog.fit
pddf	/app/data/pr_computation/ao/1aog/1aog.pr.out
profile	/app/data/saxs_computation/ao/1aog/1aog.dat

TRYPANOSOMA CRUZI TRYPANOTHIONE REDUCTASE (OXIDIZED FORM)

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