Ternary structure of 14-3-3s, CRAF V263A NS mutant phosphopeptide (pS259), and compound 22 (1083853)

entry_id	9s2p
deposition_date	2025-07-21
title	Ternary structure of 14-3-3s, CRAF V263A NS mutant phosphopeptide (pS259), and compound 22 (1083853)
keywords	PPI, 14-3-3, molecular glue, CRAF, PEPTIDE BINDING PROTEIN; PEPTIDE BINDING PROTEIN
method	X-RAY DIFFRACTION

rg_guinier	19.92 Å
rg_electron	19.11 Å
i0	27358600.00
molecular_weight	26051.0 kDa
excluded_volume	24751 ų
envelope_volume	41070 ų
shell_volume	18319 ų
envelope_diameter	69.8 Å
shell_rg	25.27 Å
envelope_rg	19.72 Å
shape_rg	19.08 Å
total_rg	19.82 Å
total_atoms	1951
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	67.4 Å
rg_real	19.90 Å
rg_real_error	0.49 Å
i0_real	2.7360e+07
i0_real_error	4.0300e+05
rg_reciprocal	19.90 Å
i0_reciprocal	27360000.0000
total_estimate	0.8024
solution_quality	GOOD a GOOD solution
n_peaks	2
r_peak_primary	23.7 Å
skewness	0.352
kurtosis	-0.211
angular_range	— – 0.4000 Å−1
current_alpha	0.0000
highest_alpha	4783000.0000
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: 0.964; Smooth: 0.000

Unit Cell

length_a	81.528 Å
length_b	111.434 Å
length_c	62.625 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	1.500 Å
resolution_low	65.800 Å
r_factor	0.1801
r_work	0.1792
r_free	0.1971

Diffraction

temperature

100.0 K

Files (7)

• pr_distribution /app/data/pr_computation/s2/9s2p/pr_distribution.json
• pr_output /app/data/pr_computation/s2/9s2p/9s2p.pr.out
• pr_plot /app/data/visualization/pr_computation/s2/9s2p/9s2p_pr_distribution.png
• saxs_curve_dat /app/data/saxs_computation/s2/9s2p/9s2p.dat
• saxs_fit /app/data/saxs_computation/s2/9s2p/9s2p.fit
• saxs_log /app/data/saxs_computation/s2/9s2p/9s2p.log
• saxs_plot /app/data/visualization/saxs_computation/s2/9s2p/9s2p_saxs_profile.png

Curves (3)

fit	/app/data/saxs_computation/s2/9s2p/9s2p.fit
pddf	/app/data/pr_computation/s2/9s2p/9s2p.pr.out
profile	/app/data/saxs_computation/s2/9s2p/9s2p.dat