14-3-3sigma protein binding to the ChREBP peptide and macrocycle 3

entry_id	9sac
deposition_date	2025-08-07
title	14-3-3sigma protein binding to the ChREBP peptide and macrocycle 3
keywords	Protein-peptide interaction, macrocyclic peptides, PROTEIN BINDING; PROTEIN BINDING
method	X-RAY DIFFRACTION

rg_guinier	19.19 Å
rg_electron	18.34 Å
i0	26214000.00
molecular_weight	25841.0 kDa
excluded_volume	24786 ų
envelope_volume	40921 ų
shell_volume	18622 ų
envelope_diameter	64.6 Å
shell_rg	24.59 Å
envelope_rg	18.75 Å
shape_rg	18.32 Å
total_rg	19.07 Å
total_atoms	1951
n_residues	236
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	62.5 Å
rg_real	19.09 Å
rg_real_error	0.44 Å
i0_real	2.6210e+07
i0_real_error	3.5510e+05
rg_reciprocal	19.11 Å
i0_reciprocal	26210000.0000
total_estimate	0.8141
solution_quality	GOOD a GOOD solution
n_peaks	2
r_peak_primary	24.3 Å
skewness	0.207
kurtosis	-0.405
angular_range	— – 0.4150 Å−1
current_alpha	0.0000
highest_alpha	5533000.0000
n_real_points	73
gnom_version	4.1.3
quality_criteria	AN1: 0.000; Oscil: 0.860; Stabil: 0.999; Sysdev: 1.000; Positv: 1.000; Valcen: 1.000; Smooth: 0.000

Unit Cell

length_a	82.477 Å
length_b	97.873 Å
length_c	81.454 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	2.500 Å
resolution_low	49.920 Å
r_factor	0.2926
r_work	0.2890
r_free	0.3612

Diffraction

temperature

100.0 K

Files (7)

• pr_distribution /app/data/pr_computation/sa/9sac/pr_distribution.json
• pr_output /app/data/pr_computation/sa/9sac/9sac.pr.out
• pr_plot /app/data/visualization/pr_computation/sa/9sac/9sac_pr_distribution.png
• saxs_curve_dat /app/data/saxs_computation/sa/9sac/9sac.dat
• saxs_fit /app/data/saxs_computation/sa/9sac/9sac.fit
• saxs_log /app/data/saxs_computation/sa/9sac/9sac.log
• saxs_plot /app/data/visualization/saxs_computation/sa/9sac/9sac_saxs_profile.png

Curves (3)

fit	/app/data/saxs_computation/sa/9sac/9sac.fit
pddf	/app/data/pr_computation/sa/9sac/9sac.pr.out
profile	/app/data/saxs_computation/sa/9sac/9sac.dat