← Back to search

9ro2

Crystal structure of Cryptosporidium parvum Thioredoxin Reductase in complex with the Au(III) dithiocarbamato complex AuL12

Method: X-RAY DIFFRACTION D_max: 146.8 Å Quality: GOOD

SAXS Profile

P(r) Distribution

▼

1. Structure Basics

entry_id	9ro2
deposition_date	2025-06-20
title	Crystal structure of Cryptosporidium parvum Thioredoxin Reductase in complex with the Au(III) dithiocarbamato complex AuL12
keywords	reductase, FLAVOPROTEIN; FLAVOPROTEIN
method	X-RAY DIFFRACTION

▼

Download Data

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

▼

2. SAXS Parameters (CRYSOL)

rg_guinier	43.80 Å
rg_electron	43.75 Å
i0	668186000.00
molecular_weight	215350.0 kDa
excluded_volume	270100 Å³
envelope_volume	352470 Å³
shell_volume	67100 Å³
envelope_diameter	155.4 Å
shell_rg	48.43 Å
envelope_rg	43.36 Å
shape_rg	43.76 Å
total_rg	43.93 Å
total_atoms	15115
n_residues	1958
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	146.8 Å
rg_real	43.87 Å
rg_real_error	1.66 Å
i0_real	6.6820e+08
i0_real_error	1.2440e+07
rg_reciprocal	43.80 Å
i0_reciprocal	668100000.0000
total_estimate	0.8796
solution_quality	GOOD a GOOD solution
n_peaks	1
r_peak_primary	44.9 Å
skewness	0.356
kurtosis	-0.510
angular_range	— – 0.1800 Å⁻¹
current_alpha	0.0000
highest_alpha	143300000.0000
n_real_points	37
gnom_version	4.1.3
quality_criteria	AN1: 0.000; Oscil: 0.863; Stabil: 0.999; Sysdev: 1.000; Positv: 1.000; Valcen: 0.974; Smooth: 0.869

▶

4. Crystallography & Experiment

▶

5. Entities & Polymer Info (5)

Entity 1 polymer

description	Thioredoxin reductase
formula_weight	56300.4 kDa
src_method	man
entity_count	4

Polymer

type	polypeptide(L)
strand_id	A,B,C,D
atom_count	15671

MKFTLVTILFLIFMKKAKIVMADLTFMYDLVVIGGGSGGMAAAKEAAKYGKKVALFDFVKPSTQGTKWGLGGTCVNVGCVPKKLMHYSALIASSIHHDAQMSGHKTSSSFEWGKLVETLRNHIRMLNFSYRTGLRVGNVEYINALAKLIDPHSVEYEDNGQKKTITSRYILLATGGRPSIPETVPGAIQYSITSDDIFFLSKSPGKTLVIGASYIGLETAGFLNELGFDTTVAMRSIPLRGFDRQCSEKIVEYMKATGTKFLVGVVPINIEKVNENIKVSFSDGSVEEFETVLYATGRNPDVKGLNLNAIGVEVSDSGKIIAPKDATSVPSIFAVGDIVEGRPELTPVAVKAGILLARRLFAGSNEFIDYDFVPTTVFTPIEYGHVGLSSEAAIAKYGEDDIEEYLSEFSTLEIAAAHREKPEHLRENEMDFALPLNCLAKLVVVKSQGEKVVGFHFVGPNAGEITQGFSLAVKLGATKKDFDDMIGIHPTDAEVFGILEVTKRSGESFVSSGGCGGGKCG

Source

organism	Cryptosporidium parvum
ncbi_taxonomy_id	5807
host_organism	Escherichia coli

Entity 2 non-polymer

description	FLAVIN-ADENINE DINUCLEOTIDE
formula_weight	785.5 kDa
src_method	syn
entity_count	4

Entity 3 non-polymer

description	GOLD ION
formula_weight	197.0 kDa
src_method	syn
entity_count	4

Entity 4 non-polymer

description	DI(HYDROXYETHYL)ETHER
formula_weight	106.1 kDa
src_method	syn
entity_count	1

Entity 5 water

description	water
formula_weight	18.0 kDa
src_method	nat
entity_count	517

▶

6. Citations (1)

▶

length_a	74.210 Å
length_b	73.295 Å
length_c	190.134 Å
angle_alpha	90.00 °
angle_beta	90.50 °
angle_gamma	90.00 °
z_pdb	8

space_group	P 1 21 1
int_tables_number	4
crystal_system	—

resolution	2.150 Å
resolution_low	39.910 Å
r_factor	0.1993
r_work	0.1974
r_free	0.2359

fit	/app/data/saxs_computation/ro/9ro2/9ro2.fit
pddf	/app/data/pr_computation/ro/9ro2/9ro2.pr.out
profile	/app/data/saxs_computation/ro/9ro2/9ro2.dat