SAXSdb — 9uj2

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1. Structure Basics

entry_id	9uj2
deposition_date	2025-04-16
last_revision	2025-05-21
title	14-3-3 zeta chimera with the S202R peptide of SARS-CoV-2 N (residues 200-213)
keywords	phosphopeptide, coronavirus, chimera, SIGNALING PROTEIN; SIGNALING PROTEIN
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	26.99 Å
rg_electron	26.19 Å
i0	53915200.00
molecular_weight	55756.0 kDa
excluded_volume	69326 Å³
envelope_volume	86720 Å³
shell_volume	27487 Å³
envelope_diameter	82.8 Å
shell_rg	33.73 Å
envelope_rg	25.79 Å
shape_rg	26.20 Å
total_rg	26.95 Å
total_atoms	3898
n_residues	479
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	81.6 Å
rg_real	26.93 Å
rg_real_error	0.42 Å
i0_real	5.3920e+07
i0_real_error	6.7340e+05
rg_reciprocal	26.95 Å
i0_reciprocal	53920000.0000
total_estimate	0.9123
solution_quality	EXCELLENT a EXCELLENT solution
n_peaks	2
r_peak_primary	30.4 Å
skewness	0.201
kurtosis	-0.666
angular_range	— – 0.2950 Å⁻¹
current_alpha	0.0000
highest_alpha	12770000.0000
n_real_points	60
gnom_version	4.1.3
quality_criteria	AN1: 0.000; Oscil: 0.983; Stabil: 1.000; Sysdev: 1.000; Positv: 1.000; Valcen: 0.988; Smooth: 0.920

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4. Crystallography & Experiment

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5. Entities & Polymer Info (5)

Entity 1 polymer

description	14-3-3 protein zeta/delta,Peptide from Nucleoprotein
formula_weight	27855.3 kDa
mutation	S202R,S58A,E73A,K74A,K75A,K157A,K158A,E159A
src_method	man
entity_count	1

Polymer

type	polypeptide(L)
strand_id	B
atom_count	4448

GPHMDKNELVQKAKLAEQAERYDDMAACMKSVTEQGAELSNEERNLLSVAYKNVVGARRSAWRVVSSIEQKTEGAAAAQQMAREYREKIETELRDICNDVLSLLEKFLIPNASQAESKVFYLKMKGDYYRYLAEVAAGDDKKGIVDQSQQAYQEAFEISAAAMQPTHPIRLGLALNFSVFYYEILNSPEKACSLAKTAFDEAIAELDTLSEESYKDSTLIMQLLRDNLTLWTGGGGSRRGTSPARMAGN

Source

organism	Severe acute respiratory syndrome coronavirus 2
common_name	2019-nCoV,SARS-CoV-2
ncbi_taxonomy_id	2697049
host_organism	Escherichia coli BL21(DE3)

Entity 2 polymer

description	14-3-3 protein zeta/delta,Peptide from Nucleoprotein
formula_weight	27887.3 kDa
mutation	S202R,S58A,E73A,K74A,K75A,K157A,K158A,E159A
src_method	man
entity_count	1

Polymer

type	polypeptide(L)
strand_id	A

GPHMDKNELVQKAKLAEQAERYDDMAACMKSVTEQGAELSNEERNLLSVAYKNVVGARRSAWRVVSSIEQKTEGAAAAQQMAREYREKIETELRDICNDVLSLLEKFLIPNASQAESKVFYLKMKGDYYRYLAEVAAGDDKKGIVDQSQQAYQEAFEISAAAMQPTHPIRLGLALNFSVFYYEILNSPEKACSLAKTAFDEAIAELDTLSEESYKDSTLIMQLLRDNLTLWTGGGGSRRGTSPARMAGN

Source

organism	Severe acute respiratory syndrome coronavirus 2
common_name	2019-nCoV,SARS-CoV-2
ncbi_taxonomy_id	2697049
host_organism	Escherichia coli BL21(DE3)

Entity 3 non-polymer

description	1,2-ETHANEDIOL
formula_weight	62.1 kDa
src_method	syn
entity_count	16

Entity 4 non-polymer

description	DI(HYDROXYETHYL)ETHER
formula_weight	106.1 kDa
src_method	syn
entity_count	7

Entity 5 water

description	water
formula_weight	18.0 kDa
src_method	nat
entity_count	437

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6. Citations (1)

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length_a	60.555 Å
length_b	84.452 Å
length_c	139.873 Å
angle_alpha	90.00 °
angle_beta	90.00 °
angle_gamma	90.00 °
z_pdb	4

space_group	P 21 21 21
int_tables_number	19
crystal_system	—

resolution	1.800 Å
resolution_low	21.760 Å
r_factor	0.1967
r_work	0.1948
r_free	0.2330

fit	/app/data/saxs_computation/uj/9uj2/9uj2.fit
pddf	/app/data/pr_computation/uj/9uj2/9uj2.pr.out
profile	/app/data/saxs_computation/uj/9uj2/9uj2.dat

14-3-3 zeta chimera with the S202R peptide of SARS-CoV-2 N (residues 200-213)

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

5. Entities & Polymer Info (5)

Entity 1 polymer

Polymer

Source

Entity 2 polymer

Polymer

Source

Entity 3 non-polymer

Entity 4 non-polymer

Entity 5 water

6. Citations (1)

7. Files & Curves (10)

Files (7)

Curves (3)