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9q9c

;Protein kinase CK2 catalytic subunit alpha' (CSNK2A2 gene product) in complex with F2X-Entry screen fragment D04 ;

Method: X-RAY DIFFRACTION D_max: 68.3 Å Quality: GOOD

SAXS Profile

P(r) Distribution

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1. Structure Basics

entry_id	9q9c
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 D04 ;
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	21.38 Å
rg_electron	20.45 Å
i0	48724500.00
molecular_weight	36624.0 kDa
excluded_volume	35606 Å³
envelope_volume	56688 Å³
shell_volume	22979 Å³
envelope_diameter	69.2 Å
shell_rg	27.31 Å
envelope_rg	20.67 Å
shape_rg	20.44 Å
total_rg	21.12 Å
total_atoms	2786
n_residues	328
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	68.3 Å
rg_real	21.28 Å
rg_real_error	0.33 Å
i0_real	4.8720e+07
i0_real_error	6.1910e+05
rg_reciprocal	21.30 Å
i0_reciprocal	48730000.0000
total_estimate	0.8980
solution_quality	GOOD a GOOD solution
n_peaks	2
r_peak_primary	25.1 Å
skewness	0.237
kurtosis	-0.402
angular_range	— – 0.3700 Å⁻¹
current_alpha	0.0000
highest_alpha	12140000.0000
n_real_points	69
gnom_version	4.1.3
quality_criteria	AN1: 0.000; Oscil: 0.892; Stabil: 1.000; Sysdev: 1.000; Positv: 1.000; Valcen: 1.000; Smooth: 0.995

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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	3030

MGSSHHHHHHSSGLVPRGSHMPGPAAGSRARVYAEVNSLRSREYWDYEAHVPSWGNQDDYQLVRKLGRGKYSEVFEAINITNNERVVVKILKPVKKKKIKREVKILENLRGGTNIIKLIDTVKDPVSKTPALVFEYINNTDFKQLYQILTDFDIRFYMYELLKALDYCHSKGIMHRDVKPHNVMIDHQQKKLRLIDWGLAEFYHPAQEYNVRVASRYFKGPELLVDYQMYDYSLDMWSLGCMLASMIFRREPFFHGQDNYDQLVRIAKVLGTEELYGYLKKYHIDLDPHFNDILGQHSRKRWENFIHSENRHLVSPEALDLLDKLLRYDHQQRLTAKEAMEHPYFYPVVKEQSQPSADNAVLSSGLTAAR

Source

organism	Homo sapiens
common_name	human
ncbi_taxonomy_id	9606
host_organism	Escherichia coli

Entity 2 non-polymer

description	methyl 4-fluoro-D-phenylalaninate
formula_weight	197.2 kDa
src_method	syn
entity_count	1

Entity 3 non-polymer

description	1,2-ETHANEDIOL
formula_weight	62.1 kDa
src_method	nat
entity_count	1

Entity 4 water

description	water
formula_weight	18.0 kDa
src_method	nat
entity_count	235

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6. Citations (1)

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length_a	46.340 Å
length_b	47.560 Å
length_c	50.440 Å
angle_alpha	113.51 °
angle_beta	89.76 °
angle_gamma	91.77 °
z_pdb	1

space_group	P 1
int_tables_number	1
crystal_system	triclinic

resolution	1.660 Å
resolution_low	32.870 Å
r_factor	0.1885
r_work	0.1874
r_free	0.2228

fit	/app/data/saxs_computation/q9/9q9c/9q9c.fit
pddf	/app/data/pr_computation/q9/9q9c/9q9c.pr.out
profile	/app/data/saxs_computation/q9/9q9c/9q9c.dat

;Protein kinase CK2 catalytic subunit alpha' (CSNK2A2 gene product) in complex with F2X-Entry screen fragment D04 ;

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