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9q8c

;Protein kinase CK2 catalytic subunit alpha' (CSNK2A2 gene product) in complex with F2X-Entry screen fragment F02 ;

Method: X-RAY DIFFRACTION D_max: 69.0 Å Quality: GOOD

SAXS Profile

P(r) Distribution

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1. Structure Basics

entry_id	9q8c
deposition_date	2025-03-18
last_revision	2026-01-14
title	;Protein kinase CK2 catalytic subunit alpha' (CSNK2A2 gene product) in complex with F2X-Entry screen fragment F02 ;
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	21.57 Å
rg_electron	20.40 Å
i0	25632900.00
molecular_weight	39436.0 kDa
excluded_volume	49617 Å³
envelope_volume	56651 Å³
shell_volume	22948 Å³
envelope_diameter	70.2 Å
shell_rg	27.44 Å
envelope_rg	20.70 Å
shape_rg	20.41 Å
total_rg	21.30 Å
total_atoms	5532
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	69.0 Å
rg_real	21.48 Å
rg_real_error	0.44 Å
i0_real	2.5630e+07
i0_real_error	3.2380e+05
rg_reciprocal	21.50 Å
i0_reciprocal	25630000.0000
total_estimate	0.8167
solution_quality	GOOD a GOOD solution
n_peaks	2
r_peak_primary	26.4 Å
skewness	0.245
kurtosis	-0.363
angular_range	— – 0.3700 Å⁻¹
current_alpha	0.0000
highest_alpha	7977000.0000
n_real_points	69
gnom_version	4.1.3
quality_criteria	AN1: 0.000; Oscil: 0.872; Stabil: 0.999; Sysdev: 1.000; Positv: 1.000; Valcen: 1.000; Smooth: 0.000

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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
src_method	man
entity_count	1

Polymer

type	polypeptide(L)
strand_id	A
atom_count	5894

MGSSHHHHHHSSGLVPRGSHMPGPAAGSRARVYAEVNSLRSREYWDYEAHVPSWGNQDDYQLVRKLGRGKYSEVFEAINITNNERVVVKILKPVKKKKIKREVKILENLRGGTNIIKLIDTVKDPVSKTPALVFEYINNTDFKQLYQILTDFDIRFYMYELLKALDYCHSKGIMHRDVKPHNVMIDHQQKKLRLIDWGLAEFYHPAQEYNVRVASRYFKGPELLVDYQMYDYSLDMWSLGCMLASMIFRREPFFHGQDNYDQLVRIAKVLGTEELYGYLKKYHIDLDPHFNDILGQHSRKRWENFIHSENRHLVSPEALDLLDKLLRYDHQQRLTAKEAMEHPYFYPVVKEQSQPSADNAVLSSGLTAAR

Source

organism	Homo sapiens
common_name	human
ncbi_taxonomy_id	9606
host_organism	Escherichia coli

Entity 2 non-polymer

description	ethyl 5-(trifluoromethyl)-1H-pyrazole-4-carboxylate
formula_weight	208.1 kDa
src_method	syn
entity_count	3

Entity 3 water

description	water
formula_weight	18.0 kDa
src_method	nat
entity_count	282

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6. Citations (1)

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length_a	46.503 Å
length_b	47.755 Å
length_c	50.583 Å
angle_alpha	66.68 °
angle_beta	89.82 °
angle_gamma	88.55 °
z_pdb	1

space_group	P 1
int_tables_number	1
crystal_system	triclinic

resolution	0.900 Å
resolution_low	32.980 Å
r_factor	0.1346
r_work	0.1344
r_free	0.1477

fit	/app/data/saxs_computation/q8/9q8c/9q8c.fit
pddf	/app/data/pr_computation/q8/9q8c/9q8c.pr.out
profile	/app/data/saxs_computation/q8/9q8c/9q8c.dat

;Protein kinase CK2 catalytic subunit alpha' (CSNK2A2 gene product) in complex with F2X-Entry screen fragment F02 ;

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