Survivin 1-127 in complex with a molecular tweezer-Histone-H3-peptide conjugate

entry_id	9tph
deposition_date	2025-12-18
last_revision	2026-04-15
title	Survivin 1-127 in complex with a molecular tweezer-Histone-H3-peptide conjugate
keywords	;protein-protein interactions, supramolecular ligands, molecular tweezers, peptide binding, BIR domain, zinc finger, chromosomal passenger complex, cell cycle, mitosis, apoptosis ;; CELL CYCLE
method	X-RAY DIFFRACTION

rg_guinier	22.72 Å
rg_electron	22.56 Å
i0	32156100.00
molecular_weight	29251.0 kDa
excluded_volume	28372 ų
envelope_volume	49502 ų
shell_volume	19537 ų
envelope_diameter	82.5 Å
shell_rg	28.15 Å
envelope_rg	23.07 Å
shape_rg	22.68 Å
total_rg	22.95 Å
total_atoms	2193
n_residues	248
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	81.1 Å
rg_real	22.90 Å
rg_real_error	0.77 Å
i0_real	3.2160e+07
i0_real_error	4.4390e+05
rg_reciprocal	22.86 Å
i0_reciprocal	32160000.0000
total_estimate	0.6432
solution_quality	REASONABLE a REASONABLE solution
n_peaks	2
r_peak_primary	22.1 Å
skewness	0.602
kurtosis	-0.028
angular_range	— – 0.3500 Å−1
current_alpha	0.0000
highest_alpha	8733000.0000
n_real_points	67
gnom_version	4.1.3
quality_criteria	AN1: 0.000; Oscil: 0.654; Stabil: 1.000; Sysdev: 0.242; Positv: 1.000; Valcen: 0.778; Smooth: 0.891

Unit Cell

length_a	101.549 Å
length_b	64.091 Å
length_c	75.872 Å
angle_alpha	90.00 °
angle_beta	141.42 °
angle_gamma	90.00 °
z_pdb	8

Symmetry

space_group	C 1 2 1
int_tables_number	5
crystal_system	—

Refinement

resolution	2.000 Å
resolution_low	49.970 Å
r_factor	0.2163
r_work	0.2139
r_free	0.2629

Diffraction

temperature

100.0 K

Files (7)

• pr_distribution /app/data/pr_computation/tp/9tph/pr_distribution.json
• pr_output /app/data/pr_computation/tp/9tph/9tph.pr.out
• pr_plot /app/data/visualization/pr_computation/tp/9tph/9tph_pr_distribution.png
• saxs_curve_dat /app/data/saxs_computation/tp/9tph/9tph.dat
• saxs_fit /app/data/saxs_computation/tp/9tph/9tph.fit
• saxs_log /app/data/saxs_computation/tp/9tph/9tph.log
• saxs_plot /app/data/visualization/saxs_computation/tp/9tph/9tph_saxs_profile.png

Curves (3)

fit	/app/data/saxs_computation/tp/9tph/9tph.fit
pddf	/app/data/pr_computation/tp/9tph/9tph.pr.out
profile	/app/data/saxs_computation/tp/9tph/9tph.dat