HUMAN THIOREDOXIN DOUBLE MUTANT WITH CYS 32 REPLACED BY SER AND CYS 35 REPLACED BY SER

Method: X-RAY DIFFRACTION D_max: 43.1 Å Quality: GOOD

SAXS Profile

P(r) Distribution

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1. Structure Basics

entry_id	1erw
deposition_date	1996-02-07
title	HUMAN THIOREDOXIN DOUBLE MUTANT WITH CYS 32 REPLACED BY SER AND CYS 35 REPLACED BY SER
keywords	DIMER, OXIDOREDUCTASE, THIOREDOXIN; 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	14.26 Å
rg_electron	12.65 Å
i0	2739290.00
molecular_weight	11700.0 kDa
excluded_volume	14734 Å³
envelope_volume	16209 Å³
shell_volume	10899 Å³
envelope_diameter	40.6 Å
shell_rg	18.40 Å
envelope_rg	12.85 Å
shape_rg	12.61 Å
total_rg	14.10 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	43.1 Å
rg_real	14.13 Å
rg_real_error	0.21 Å
i0_real	2.7390e+06
i0_real_error	2.8950e+04
rg_reciprocal	14.14 Å
i0_reciprocal	2739000.0000
total_estimate	0.8981
solution_quality	GOOD a GOOD solution
n_peaks	2
r_peak_primary	18.0 Å
skewness	0.021
kurtosis	-0.438
angular_range	— – 0.5000 Å⁻¹
current_alpha	0.0000
highest_alpha	594600.0000
n_real_points	80
gnom_version	4.1.3
quality_criteria	AN1: 0.000; Oscil: 0.902; Stabil: 1.000; Sysdev: 1.000; Positv: 1.000; Valcen: 0.973; Smooth: 0.992

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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	67.770 Å
length_b	26.380 Å
length_c	51.640 Å
angle_alpha	90.00 °
angle_beta	95.08 °
angle_gamma	90.00 °
z_pdb	4

space_group	C 1 2 1
int_tables_number	5
crystal_system	—

resolution	1.800 Å
resolution_low	15.000 Å
r_factor	0.2100
r_work	0.2100
r_free	0.2600

description	THIOREDOXIN
formula_weight	11718.3 kDa
mutation	C32S, C35S
src_method	man
entity_count	1

type	polypeptide(L)
strand_id	A
atom_count	875

HUMAN THIOREDOXIN DOUBLE MUTANT WITH CYS 32 REPLACED BY SER AND CYS 35 REPLACED BY SER

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	49

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