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9qak

;Protein kinase CK2 catalytic subunit alpha' (CSNK2A2 gene product) in complex with F2X-Entry screen fragment G07 ;

Method: X-RAY DIFFRACTION D_max: 69.3 Å Quality: GOOD

SAXS Profile

P(r) Distribution

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1. Structure Basics

entry_id	9qak
deposition_date	2025-02-28
last_revision	2026-01-14
title	;Protein kinase CK2 catalytic subunit alpha' (CSNK2A2 gene product) in complex with F2X-Entry screen fragment G07 ;
keywords	CK2, fragment-based screening, protein kinase, 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	21.67 Å
rg_electron	20.44 Å
i0	25107700.00
molecular_weight	39226.0 kDa
excluded_volume	49455 Å³
envelope_volume	57006 Å³
shell_volume	23058 Å³
envelope_diameter	70.2 Å
shell_rg	27.48 Å
envelope_rg	20.70 Å
shape_rg	20.42 Å
total_rg	21.41 Å
total_atoms	5510
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	69.3 Å
rg_real	21.57 Å
rg_real_error	0.38 Å
i0_real	2.5110e+07
i0_real_error	3.0680e+05
rg_reciprocal	21.59 Å
i0_reciprocal	25110000.0000
total_estimate	0.8965
solution_quality	GOOD a GOOD solution
n_peaks	2
r_peak_primary	25.9 Å
skewness	0.241
kurtosis	-0.375
angular_range	— – 0.3650 Å⁻¹
current_alpha	0.0000
highest_alpha	8636000.0000
n_real_points	68
gnom_version	4.1.3
quality_criteria	AN1: 0.000; Oscil: 0.887; Stabil: 1.000; Sysdev: 1.000; Positv: 1.000; Valcen: 1.000; Smooth: 0.990

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4. Crystallography & Experiment

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5. Entities & Polymer Info (4)

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	5856

MGSSHHHHHHSSGLVPRGSHMPGPAAGSRARVYAEVNSLRSREYWDYEAHVPSWGNQDDYQLVRKLGRGKYSEVFEAINITNNERVVVKILKPVKKKKIKREVKILENLRGGTNIIKLIDTVKDPVSKTPALVFEYINNTDFKQLYQILTDFDIRFYMYELLKALDYCHSKGIMHRDVKPHNVMIDHQQKKLRLIDWGLAEFYHPAQEYNVRVASRYFKGPELLVDYQMYDYSLDMWSLGCMLASMIFRREPFFHGQDNYDQLVRIAKVLGTEELYGYLKKYHIDLDPHFNDILGQHSRKRWENFIHSENRHLVSPEALDLLDKLLRYDHQQRLTAKEAMEHPYFYPVVKEQSQPSADNAVLSSGLTAAR

Source

organism	Homo sapiens
common_name	human
ncbi_taxonomy_id	9606
host_organism	Escherichia coli

Entity 2 non-polymer

description	2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]ethanoic acid
formula_weight	173.2 kDa
src_method	syn
entity_count	1

Entity 3 non-polymer

description	CHLORIDE ION
formula_weight	35.5 kDa
src_method	nat
entity_count	1

Entity 4 water

description	water
formula_weight	18.0 kDa
src_method	nat
entity_count	289

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6. Citations (1)

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length_a	46.537 Å
length_b	47.758 Å
length_c	50.575 Å
angle_alpha	66.68 °
angle_beta	89.80 °
angle_gamma	88.78 °
z_pdb	1

space_group	P 1
int_tables_number	1
crystal_system	triclinic

resolution	0.980 Å
resolution_low	46.530 Å
r_factor	0.1476
r_work	0.1473
r_free	0.1752

fit	/app/data/saxs_computation/qa/9qak/9qak.fit
pddf	/app/data/pr_computation/qa/9qak/9qak.pr.out
profile	/app/data/saxs_computation/qa/9qak/9qak.dat

;Protein kinase CK2 catalytic subunit alpha' (CSNK2A2 gene product) in complex with F2X-Entry screen fragment G07 ;

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