HUMAN THIOREDOXIN MUTANT WITH CYS 73 REPLACED BY SER (REDUCED FORM)

Method: X-RAY DIFFRACTION D_max: 42.8 Å Quality: EXCELLENT

SAXS Profile

P(r) Distribution

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1. Structure Basics

entry_id	1erv
deposition_date	1996-02-07
title	HUMAN THIOREDOXIN MUTANT WITH CYS 73 REPLACED BY SER (REDUCED FORM)
keywords	DIMER, THIOREDOXIN, 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	14.25 Å
rg_electron	12.66 Å
i0	2769190.00
molecular_weight	11716.0 kDa
excluded_volume	14744 Å³
envelope_volume	16000 Å³
shell_volume	10804 Å³
envelope_diameter	40.0 Å
shell_rg	18.41 Å
envelope_rg	12.82 Å
shape_rg	12.61 Å
total_rg	14.12 Å
total_atoms	821
n_residues	105
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	42.8 Å
rg_real	14.12 Å
rg_real_error	0.21 Å
i0_real	2.7690e+06
i0_real_error	2.7320e+04
rg_reciprocal	14.13 Å
i0_reciprocal	2769000.0000
total_estimate	0.9005
solution_quality	EXCELLENT a EXCELLENT solution
n_peaks	1
r_peak_primary	41.7 Å
skewness	0.021
kurtosis	-0.437
angular_range	— – 0.5000 Å⁻¹
current_alpha	0.0000
highest_alpha	514500.0000
n_real_points	80
gnom_version	4.1.3
quality_criteria	AN1: 0.000; Oscil: 0.916; Stabil: 1.000; Sysdev: 1.000; Positv: 1.000; Valcen: 0.974; Smooth: 0.982

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4. Crystallography & Experiment

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5. Entities & Polymer Info (2)

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6. Citations (1)

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length_a	67.800 Å
length_b	26.330 Å
length_c	51.540 Å
angle_alpha	90.00 °
angle_beta	95.04 °
angle_gamma	90.00 °
z_pdb	4

space_group	C 1 2 1
int_tables_number	5
crystal_system	—

resolution	1.650 Å
resolution_low	7.000 Å
r_factor	0.2100
r_work	0.2100
r_free	0.2400

description	THIOREDOXIN
formula_weight	11734.4 kDa
mutation	C73S
src_method	man
entity_count	1

type	polypeptide(L)
strand_id	A
atom_count	880

HUMAN THIOREDOXIN MUTANT WITH CYS 73 REPLACED BY SER (REDUCED 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

5. Entities & Polymer Info (2)

Entity 1 polymer

Polymer

Source

Entity 2 water

6. Citations (1)

7. Files & Curves (10)

Files (7)

Curves (3)

organism	Homo sapiens
common_name	human
ncbi_taxonomy_id	9606
host_organism	Escherichia coli

description	water
formula_weight	18.0 kDa
src_method	nat
entity_count	58

fit	/app/data/saxs_computation/er/1erv/1erv.fit
pddf	/app/data/pr_computation/er/1erv/1erv.pr.out
profile	/app/data/saxs_computation/er/1erv/1erv.dat