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9uky

Crystal structure of dmCIAO1-CIAO2B-hCDKAL1 pentapeptide complex

Method: X-RAY DIFFRACTION D_max: 72.3 Å Quality: REASONABLE

SAXS Profile

P(r) Distribution

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1. Structure Basics

entry_id	9uky
deposition_date	2025-04-18
last_revision	2025-12-24
title	Crystal structure of dmCIAO1-CIAO2B-hCDKAL1 pentapeptide complex
keywords	Fe-S proteins, pentapeptide, consensus motif, CTC, METAL BINDING PROTEIN; METAL BINDING PROTEIN
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	23.54 Å
rg_electron	22.56 Å
i0	47327900.00
molecular_weight	51705.0 kDa
excluded_volume	63977 Å³
envelope_volume	75226 Å³
shell_volume	27335 Å³
envelope_diameter	75.6 Å
shell_rg	30.27 Å
envelope_rg	22.98 Å
shape_rg	22.56 Å
total_rg	23.44 Å
total_atoms	3640
n_residues	466
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	72.3 Å
rg_real	23.45 Å
rg_real_error	0.37 Å
i0_real	4.7330e+07
i0_real_error	5.4930e+05
rg_reciprocal	23.47 Å
i0_reciprocal	47330000.0000
total_estimate	0.7098
solution_quality	REASONABLE a REASONABLE solution
n_peaks	2
r_peak_primary	28.2 Å
skewness	0.252
kurtosis	-0.431
angular_range	— – 0.3350 Å⁻¹
current_alpha	0.0000
highest_alpha	13600000.0000
n_real_points	65
gnom_version	4.1.3
quality_criteria	AN1: 0.000; Oscil: 0.935; Stabil: 1.000; Sysdev: 0.154; Positv: 1.000; Valcen: 0.997; Smooth: 0.960

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4. Crystallography & Experiment

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5. Entities & Polymer Info (3)

Entity 1 polymer

description	MIP18 family protein galla-2
formula_weight	17683.0 kDa
mutation	E4D, N7D
src_method	man
entity_count	1

Polymer

type	polypeptide(L)
strand_id	A
atom_count	3696

SMPTDIEDINPNVYDRIKERVLTANEEDENVPDPFDKREIFDLIRNINDPEHPLTLEELHVVQEDLIRINDSQNSVHISFTPTIPHCSMATLIGLSIRVKLLRSLPPRFKVTVEITPGTHASELAVNKQLADKERVAAALENNHLAEVINQCIAAKG

Source

organism	Drosophila melanogaster
common_name	fruit fly
ncbi_taxonomy_id	7227
host_organism	Escherichia coli

Entity 2 polymer

description	Probable cytosolic iron-sulfur protein assembly protein Ciao1
formula_weight	37173.2 kDa
src_method	man
entity_count	1

Polymer

type	polypeptide(L)
strand_id	B

SMGRLILEHTLQGHKGRIWGVAWHPKGNVFASCGEDKAIRIWSLTGNTWSTKTILSDGHKRTIREIRWSPCGQYLASASFDATTAIWSKSSGEFECNATLEGHENEVKSVSWSRSGGLLATCSRDKSVWIWEVAGDDEFECAAVLNPHTQDVKRVVWHPTKDILASASYDNTIKMFAEEPIDNDWDCTATLTSHTSTVWGIDFDADGERLVSCSDDTTIKIWRAYHPGNTAGVATPDQQTVWKCVCTVSGQHSRAIYDVSWCKLTGLIATACGDDGIRIFKESSDSKPDEPTFEQITAEEGAHDQDVNSVQWNPVVAGQLISCSDDGTIKIWKVTE

Source

organism	Drosophila melanogaster
common_name	fruit fly
ncbi_taxonomy_id	7227
host_organism	Escherichia coli

Entity 3 water

description	water
formula_weight	18.0 kDa
src_method	nat
entity_count	56

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6. Citations (1)

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length_a	162.977 Å
length_b	74.856 Å
length_c	47.867 Å
angle_alpha	90.00 °
angle_beta	99.16 °
angle_gamma	90.00 °
z_pdb	4

space_group	C 1 2 1
int_tables_number	5
crystal_system	—

resolution	2.500 Å
resolution_low	47.256 Å
r_factor	0.1745
r_work	0.1713
r_free	0.2318

fit	/app/data/saxs_computation/uk/9uky/9uky.fit
pddf	/app/data/pr_computation/uk/9uky/9uky.pr.out
profile	/app/data/saxs_computation/uk/9uky/9uky.dat

Crystal structure of dmCIAO1-CIAO2B-hCDKAL1 pentapeptide complex

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 (3)

Entity 1 polymer

Polymer

Source

Entity 2 polymer

Polymer

Source

Entity 3 water

6. Citations (1)

7. Files & Curves (10)

Files (7)

Curves (3)