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9tpi

Survivin 1-122 in complex with a molecular tweezer-Histone-H3-peptide conjugate

Method: X-RAY DIFFRACTION D_max: 82.2 Å Quality: GOOD

SAXS Profile

P(r) Distribution

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1. Structure Basics

entry_id	9tpi
deposition_date	2025-12-18
last_revision	2026-04-15
title	Survivin 1-122 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

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Download Data

SAXS curve (.dat) P(r) distribution (.pr.out) Structure (CIF)

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2. SAXS Parameters (CRYSOL)

rg_guinier	22.54 Å
rg_electron	22.39 Å
i0	30382700.00
molecular_weight	28441.0 kDa
excluded_volume	27579 Å³
envelope_volume	47454 Å³
shell_volume	18955 Å³
envelope_diameter	84.0 Å
shell_rg	27.88 Å
envelope_rg	22.92 Å
shape_rg	22.51 Å
total_rg	22.76 Å
total_atoms	2132
n_residues	241
n_harmonics	20
q_range	— – 0.5000 Å⁻¹
n_points	101
shell_type	directional
solvent_density	0.3340 e/Å³
contrast_shell	0.0300 e/Å³
crysol_version	4.1.3

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3. P(r) Analysis (GNOM)

dmax	82.2 Å
rg_real	22.74 Å
rg_real_error	0.77 Å
i0_real	3.0380e+07
i0_real_error	4.5680e+05
rg_reciprocal	22.70 Å
i0_reciprocal	30380000.0000
total_estimate	0.8039
solution_quality	GOOD a GOOD solution
n_peaks	2
r_peak_primary	21.2 Å
skewness	0.619
kurtosis	-0.025
angular_range	— – 0.3500 Å⁻¹
current_alpha	0.0000
highest_alpha	9431000.0000
n_real_points	67
gnom_version	4.1.3
quality_criteria	AN1: 0.000; Oscil: 0.590; Stabil: 1.000; Sysdev: 1.000; Positv: 1.000; Valcen: 0.695; Smooth: 0.983

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4. Crystallography & Experiment

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5. Entities & Polymer Info (6)

Entity 1 polymer

description	Baculoviral IAP repeat-containing protein 5
formula_weight	13961.9 kDa
src_method	man
entity_count	2

Polymer

type	polypeptide(L)
strand_id	A,B
atom_count	2251

GAPTLPPAWQPFLKDHRISTFKNWPFLEGCACTPERMAEAGFIHCPTENEPDLAQCFFCFKELEGWEPDDDPIEEHKKHSSGCAFLSVKKQFEELTLGEFLKLDRERAKNKIAKETNNKKK

Source

organism	Homo sapiens
common_name	human
ncbi_taxonomy_id	9606
host_organism	Escherichia coli

Entity 2 polymer

description	Histone-H3-peptide conjugated to molecular tweezer
formula_weight	653.7 kDa
src_method	syn
entity_count	2

Polymer

type	polypeptide(L)
strand_id	C,D

ARTKXX

Entity 3 non-polymer

description	ZINC ION
formula_weight	65.4 kDa
src_method	syn
entity_count	2

Entity 4 non-polymer

description	CALCIUM ION
formula_weight	40.1 kDa
src_method	syn
entity_count	3

Entity 5 non-polymer

description	Molecular tweezer (BIRC5)
formula_weight	821.7 kDa
src_method	syn
entity_count	2

Entity 6 water

description	water
formula_weight	18.0 kDa
src_method	nat
entity_count	116

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6. Citations (1)

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length_a	95.450 Å
length_b	63.990 Å
length_c	63.080 Å
angle_alpha	90.00 °
angle_beta	127.61 °
angle_gamma	90.00 °
z_pdb	8

space_group	C 1 2 1
int_tables_number	5
crystal_system	—

resolution	1.800 Å
resolution_low	49.970 Å
r_factor	0.1986
r_work	0.1966
r_free	0.2347

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

Survivin 1-122 in complex with a molecular tweezer-Histone-H3-peptide conjugate

SAXS Profile

P(r) Distribution

1. Structure Basics

Download Data

2. SAXS Parameters (CRYSOL)

3. P(r) Analysis (GNOM)

4. Crystallography & Experiment

Unit Cell

Symmetry

Refinement

Diffraction

5. Entities & Polymer Info (6)

Entity 1 polymer

Polymer

Source

Entity 2 polymer

Polymer

Entity 3 non-polymer

Entity 4 non-polymer

Entity 5 non-polymer

Entity 6 water

6. Citations (1)

7. Files & Curves (10)

Files (7)

Curves (3)