← Back to search

9wqu

;b-b' domain fragment of ER-60 (ERp57) under microgravity ;

Method: X-RAY DIFFRACTION D_max: 124.8 Å Quality: GOOD

SAXS Profile

P(r) Distribution

▼

1. Structure Basics

entry_id	9wqu
deposition_date	2025-09-11
last_revision	2025-10-01
title	;b-b' domain fragment of ER-60 (ERp57) under microgravity ;
keywords	thioredoxin fold, endoplasmic reticulum, oxidative protein folding, ISOMERASE; ISOMERASE
method	X-RAY DIFFRACTION

▼

Download Data

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

▼

2. SAXS Parameters (CRYSOL)

rg_guinier	34.94 Å
rg_electron	35.03 Å
i0	102248000.00
molecular_weight	80506.0 kDa
excluded_volume	100610 Å³
envelope_volume	134950 Å³
shell_volume	35056 Å³
envelope_diameter	131.6 Å
shell_rg	37.65 Å
envelope_rg	35.05 Å
shape_rg	35.04 Å
total_rg	35.21 Å
total_atoms	5683
n_residues	699
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	124.8 Å
rg_real	35.35 Å
rg_real_error	1.62 Å
i0_real	1.0220e+08
i0_real_error	1.9570e+06
rg_reciprocal	35.09 Å
i0_reciprocal	102200000.0000
total_estimate	0.7897
solution_quality	GOOD a GOOD solution
n_peaks	2
r_peak_primary	36.0 Å
skewness	0.668
kurtosis	0.075
angular_range	— – 0.2250 Å⁻¹
current_alpha	0.0000
highest_alpha	15890000.0000
n_real_points	46
gnom_version	4.1.3
quality_criteria	AN1: 0.000; Oscil: 0.662; Stabil: 1.000; Sysdev: 1.000; Positv: 1.000; Valcen: 0.734; Smooth: 0.540

▶

4. Crystallography & Experiment

▶

5. Entities & Polymer Info (3)

Entity 1 polymer

description	Protein disulfide-isomerase A3
formula_weight	28584.0 kDa
ec_number	5.3.4.1
src_method	man
entity_count	3

Polymer

type	polypeptide(L)
strand_id	A,B,C
atom_count	6220

GPLGSPASVPLRTEEEFKKFISDKDASIVGFFDDSFSEAHSEFLKAASNLRDNYRFAHTNVESLVNEYDDNGEGIILFRPSHLTNKFEDKTVAYTEQKMTSGKIKKFIQENIFGICPHMTEDNKDLIQGKDLLIAYYDVDYEKNAKGSNYWRNRVMMVAKKFLDAGHKLNFAVASRKTFSHELSDFGLESTAGEIPVVAIRTAKGEKFVMQEEFSRDGKALERFLQDYFDGNLKRYLKSEPIPESNDGAAAS

Source

organism	Homo sapiens
common_name	human
ncbi_taxonomy_id	9606
host_organism	Escherichia coli BL21(DE3)

Entity 2 non-polymer

description	SULFATE ION
formula_weight	96.1 kDa
src_method	syn
entity_count	2

Entity 3 water

description	water
formula_weight	18.0 kDa
src_method	nat
entity_count	534

▶

6. Citations (1)

▶

length_a	74.315 Å
length_b	62.901 Å
length_c	97.148 Å
angle_alpha	90.00 °
angle_beta	98.64 °
angle_gamma	90.00 °
z_pdb	6

space_group	P 1 21 1
int_tables_number	4
crystal_system	—

resolution	1.800 Å
resolution_low	47.780 Å
r_factor	0.2208
r_work	0.2186
r_free	0.2627

fit	/app/data/saxs_computation/wq/9wqu/9wqu.fit
pddf	/app/data/pr_computation/wq/9wqu/9wqu.pr.out
profile	/app/data/saxs_computation/wq/9wqu/9wqu.dat

;b-b' domain fragment of ER-60 (ERp57) under microgravity ;

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