Tau pS198 phosphopeptide binding to 14-3-3sigma

entry_id	9qnj
deposition_date	2025-03-25
title	Tau pS198 phosphopeptide binding to 14-3-3sigma
keywords	14-3-3 protein-protein interactions, PEPTIDE BINDING PROTEIN; PEPTIDE BINDING PROTEIN
method	X-RAY DIFFRACTION

rg_guinier	20.54 Å
rg_electron	19.44 Å
i0	14676500.00
molecular_weight	27745.0 kDa
excluded_volume	34311 ų
envelope_volume	41668 ų
shell_volume	18385 ų
envelope_diameter	70.3 Å
shell_rg	25.39 Å
envelope_rg	19.96 Å
shape_rg	19.37 Å
total_rg	20.52 Å
total_atoms	1929
n_residues	243
n_harmonics	20
q_range	— – 0.5000 Å−1
n_points	101
shell_type	directional
solvent_density	0.3340 e/ų
contrast_shell	0.0300 e/ų
crysol_version	4.1.3

dmax	69.3 Å
rg_real	20.51 Å
rg_real_error	0.51 Å
i0_real	1.4680e+07
i0_real_error	1.9070e+05
rg_reciprocal	20.52 Å
i0_reciprocal	14680000.0000
total_estimate	0.8786
solution_quality	GOOD a GOOD solution
n_peaks	2
r_peak_primary	25.1 Å
skewness	0.335
kurtosis	-0.213
angular_range	— – 0.3850 Å−1
current_alpha	0.0000
highest_alpha	3035000.0000
n_real_points	70
gnom_version	4.1.3
quality_criteria	AN1: 0.000; Oscil: 0.832; Stabil: 1.000; Sysdev: 1.000; Positv: 1.000; Valcen: 0.987; Smooth: 0.936

Unit Cell

length_a	82.610 Å
length_b	112.429 Å
length_c	62.955 Å
angle_alpha	90.00 °
angle_beta	90.00 °
angle_gamma	90.00 °
z_pdb	8

Symmetry

space_group	C 2 2 21
int_tables_number	20
crystal_system	—

Refinement

resolution	1.300 Å
resolution_low	66.570 Å
r_factor	0.1476
r_work	0.1465
r_free	0.1664

Diffraction

temperature

100.0 K

Files (7)

• pr_distribution /app/data/pr_computation/qn/9qnj/pr_distribution.json
• pr_output /app/data/pr_computation/qn/9qnj/9qnj.pr.out
• pr_plot /app/data/visualization/pr_computation/qn/9qnj/9qnj_pr_distribution.png
• saxs_curve_dat /app/data/saxs_computation/qn/9qnj/9qnj.dat
• saxs_fit /app/data/saxs_computation/qn/9qnj/9qnj.fit
• saxs_log /app/data/saxs_computation/qn/9qnj/9qnj.log
• saxs_plot /app/data/visualization/saxs_computation/qn/9qnj/9qnj_saxs_profile.png

Curves (3)

fit	/app/data/saxs_computation/qn/9qnj/9qnj.fit
pddf	/app/data/pr_computation/qn/9qnj/9qnj.pr.out
profile	/app/data/saxs_computation/qn/9qnj/9qnj.dat