14-3-3sigma protein binding to ChREBP peptide and macrocycle 4

entry_id	9sae
deposition_date	2025-08-07
title	14-3-3sigma protein binding to ChREBP peptide and macrocycle 4
keywords	Protein-peptide interaction, macrocyclic peptides, PROTEIN BINDING; PROTEIN BINDING
method	X-RAY DIFFRACTION

rg_guinier	19.44 Å
rg_electron	18.58 Å
i0	27619400.00
molecular_weight	26530.0 kDa
excluded_volume	25444 ų
envelope_volume	42348 ų
shell_volume	19070 ų
envelope_diameter	67.2 Å
shell_rg	24.92 Å
envelope_rg	19.01 Å
shape_rg	18.53 Å
total_rg	19.35 Å
total_atoms	1998
n_residues	244
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	64.5 Å
rg_real	19.35 Å
rg_real_error	0.37 Å
i0_real	2.7620e+07
i0_real_error	3.6050e+05
rg_reciprocal	19.37 Å
i0_reciprocal	27620000.0000
total_estimate	0.8048
solution_quality	GOOD a GOOD solution
n_peaks	3
r_peak_primary	24.5 Å
skewness	0.244
kurtosis	-0.312
angular_range	— – 0.4100 Å−1
current_alpha	0.0000
highest_alpha	5691000.0000
n_real_points	72
gnom_version	4.1.3
quality_criteria	AN1: 0.000; Oscil: 0.821; Stabil: 1.000; Sysdev: 1.000; Positv: 1.000; Valcen: 0.995; Smooth: 0.000

Unit Cell

length_a	82.866 Å
length_b	112.997 Å
length_c	63.468 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	2.300 Å
resolution_low	56.560 Å
r_factor	0.2299
r_work	0.2271
r_free	0.2848

Diffraction

temperature

100.0 K

Files (7)

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

Curves (3)

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