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9q9g

;Protein kinase CK2 catalytic subunit alpha' (CSNK2A2 gene product) in complex with F2X-Entry screen fragment D10 ;

Method: X-RAY DIFFRACTION D_max: 69.4 Å Quality: GOOD

SAXS Profile

P(r) Distribution

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1. Structure Basics

entry_id	9q9g
deposition_date	2025-02-26
last_revision	2026-01-14
title	;Protein kinase CK2 catalytic subunit alpha' (CSNK2A2 gene product) in complex with F2X-Entry screen fragment D10 ;
keywords	fragment-based screening, protein kinase CK2, casein kinase II, TRANSFERASE; TRANSFERASE
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	21.70 Å
rg_electron	20.50 Å
i0	25219400.00
molecular_weight	39600.0 kDa
excluded_volume	50027 Å³
envelope_volume	57519 Å³
shell_volume	23161 Å³
envelope_diameter	70.4 Å
shell_rg	27.57 Å
envelope_rg	20.81 Å
shape_rg	20.51 Å
total_rg	21.40 Å
total_atoms	5577
n_residues	327
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	69.4 Å
rg_real	21.60 Å
rg_real_error	0.37 Å
i0_real	2.5220e+07
i0_real_error	3.5930e+05
rg_reciprocal	21.62 Å
i0_reciprocal	25220000.0000
total_estimate	0.8974
solution_quality	GOOD a GOOD solution
n_peaks	2
r_peak_primary	25.9 Å
skewness	0.246
kurtosis	-0.374
angular_range	— – 0.3650 Å⁻¹
current_alpha	0.0000
highest_alpha	8054000.0000
n_real_points	68
gnom_version	4.1.3
quality_criteria	AN1: 0.000; Oscil: 0.888; Stabil: 1.000; Sysdev: 1.000; Positv: 1.000; Valcen: 1.000; Smooth: 0.998

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4. Crystallography & Experiment

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5. Entities & Polymer Info (3)

Entity 1 polymer

description	;Casein kinase II subunit alpha' ;
formula_weight	43432.5 kDa
ec_number	2.7.11.1
mutation	C336S
src_method	man
entity_count	1

Polymer

type	polypeptide(L)
strand_id	A
atom_count	5924

MGSSHHHHHHSSGLVPRGSHMPGPAAGSRARVYAEVNSLRSREYWDYEAHVPSWGNQDDYQLVRKLGRGKYSEVFEAINITNNERVVVKILKPVKKKKIKREVKILENLRGGTNIIKLIDTVKDPVSKTPALVFEYINNTDFKQLYQILTDFDIRFYMYELLKALDYCHSKGIMHRDVKPHNVMIDHQQKKLRLIDWGLAEFYHPAQEYNVRVASRYFKGPELLVDYQMYDYSLDMWSLGCMLASMIFRREPFFHGQDNYDQLVRIAKVLGTEELYGYLKKYHIDLDPHFNDILGQHSRKRWENFIHSENRHLVSPEALDLLDKLLRYDHQQRLTAKEAMEHPYFYPVVKEQSQPSADNAVLSSGLTAAR

Source

organism	Homo sapiens
common_name	human
ncbi_taxonomy_id	9606
host_organism	Escherichia coli

Entity 2 non-polymer

description	2-methyl-N-(4-methylphenyl)-L-alanine
formula_weight	193.2 kDa
src_method	syn
entity_count	3

Entity 3 water

description	water
formula_weight	18.0 kDa
src_method	nat
entity_count	294

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6. Citations (1)

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length_a	46.668 Å
length_b	47.807 Å
length_c	50.679 Å
angle_alpha	66.66 °
angle_beta	89.00 °
angle_gamma	88.21 °
z_pdb	1

space_group	P 1
int_tables_number	1
crystal_system	triclinic

resolution	0.940 Å
resolution_low	33.030 Å
r_factor	0.1393
r_work	0.1391
r_free	0.1571

fit	/app/data/saxs_computation/q9/9q9g/9q9g.fit
pddf	/app/data/pr_computation/q9/9q9g/9q9g.pr.out
profile	/app/data/saxs_computation/q9/9q9g/9q9g.dat

;Protein kinase CK2 catalytic subunit alpha' (CSNK2A2 gene product) in complex with F2X-Entry screen fragment D10 ;

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