Ternary structure of 14-3-3s, CRAF V263A NS mutant phosphopeptide (pS259), and compound 78 (1124378)

entry_id	9s2k
deposition_date	2025-07-21
title	Ternary structure of 14-3-3s, CRAF V263A NS mutant phosphopeptide (pS259), and compound 78 (1124378)
keywords	PROTEIN BINDING, Covalent, molecular glue, CRAF, PEPTIDE BINDING PROTEIN; PEPTIDE BINDING PROTEIN
method	X-RAY DIFFRACTION

rg_guinier	19.92 Å
rg_electron	19.12 Å
i0	27742300.00
molecular_weight	26221.0 kDa
excluded_volume	24898 ų
envelope_volume	42025 ų
shell_volume	18659 ų
envelope_diameter	69.8 Å
shell_rg	25.32 Å
envelope_rg	19.69 Å
shape_rg	19.08 Å
total_rg	19.83 Å
total_atoms	1963
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	65.5 Å
rg_real	19.89 Å
rg_real_error	0.46 Å
i0_real	2.7740e+07
i0_real_error	3.3240e+05
rg_reciprocal	19.90 Å
i0_reciprocal	27740000.0000
total_estimate	0.8103
solution_quality	GOOD a GOOD solution
n_peaks	2
r_peak_primary	24.0 Å
skewness	0.337
kurtosis	-0.251
angular_range	— – 0.4000 Å−1
current_alpha	0.0000
highest_alpha	5226000.0000
n_real_points	72
gnom_version	4.1.3
quality_criteria	AN1: 0.000; Oscil: 0.849; Stabil: 1.000; Sysdev: 1.000; Positv: 1.000; Valcen: 0.983; Smooth: 0.000

Unit Cell

length_a	62.453 Å
length_b	150.660 Å
length_c	76.958 Å
angle_alpha	90.00 °
angle_beta	90.00 °
angle_gamma	90.00 °
z_pdb	8

Symmetry

space_group	C 2 2 2
int_tables_number	21
crystal_system	—

Refinement

resolution	2.150 Å
resolution_low	76.960 Å
r_factor	0.2058
r_work	0.2044
r_free	0.2332

Diffraction

temperature

100.0 K

Files (7)

• pr_distribution /app/data/pr_computation/s2/9s2k/pr_distribution.json
• pr_output /app/data/pr_computation/s2/9s2k/9s2k.pr.out
• pr_plot /app/data/visualization/pr_computation/s2/9s2k/9s2k_pr_distribution.png
• saxs_curve_dat /app/data/saxs_computation/s2/9s2k/9s2k.dat
• saxs_fit /app/data/saxs_computation/s2/9s2k/9s2k.fit
• saxs_log /app/data/saxs_computation/s2/9s2k/9s2k.log
• saxs_plot /app/data/visualization/saxs_computation/s2/9s2k/9s2k_saxs_profile.png

Curves (3)

fit	/app/data/saxs_computation/s2/9s2k/9s2k.fit
pddf	/app/data/pr_computation/s2/9s2k/9s2k.pr.out
profile	/app/data/saxs_computation/s2/9s2k/9s2k.dat