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1day

CRYSTAL STRUCTURE OF A BINARY COMPLEX OF PROTEIN KINASE CK2 (ALPHA-SUBUNIT) AND MG-GMPPNP

Method: X-RAY DIFFRACTION D_max: 68.9 Å Quality: GOOD

SAXS Profile

P(r) Distribution

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1. Structure Basics

entry_id	1day
deposition_date	1999-11-01
title	CRYSTAL STRUCTURE OF A BINARY COMPLEX OF PROTEIN KINASE CK2 (ALPHA-SUBUNIT) AND MG-GMPPNP
keywords	PROTEIN KINASE CK2, DUAL-COSUBSTRATE SPECIFICITY, BINARY COMPLEX WITH MG-GMPPNP, 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	21.35 Å
rg_electron	20.21 Å
i0	25580100.00
molecular_weight	39186.0 kDa
excluded_volume	49209 Å³
envelope_volume	55877 Å³
shell_volume	22809 Å³
envelope_diameter	69.5 Å
shell_rg	27.19 Å
envelope_rg	20.56 Å
shape_rg	20.21 Å
total_rg	21.07 Å
total_atoms	2762
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	68.9 Å
rg_real	21.27 Å
rg_real_error	0.37 Å
i0_real	2.5580e+07
i0_real_error	3.3290e+05
rg_reciprocal	21.28 Å
i0_reciprocal	25580000.0000
total_estimate	0.8927
solution_quality	GOOD a GOOD solution
n_peaks	2
r_peak_primary	25.3 Å
skewness	0.261
kurtosis	-0.329
angular_range	— – 0.3700 Å⁻¹
current_alpha	0.0000
highest_alpha	5718000.0000
n_real_points	69
gnom_version	4.1.3
quality_criteria	AN1: 0.000; Oscil: 0.870; Stabil: 1.000; Sysdev: 1.000; Positv: 1.000; Valcen: 1.000; Smooth: 0.991

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4. Crystallography & Experiment

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5. Entities & Polymer Info (4)

Entity 1 polymer

description	PROTEIN KINASE CK2
formula_weight	38673.4 kDa
ec_number	2.7.1.37
src_method	man
entity_count	1

Polymer

type	polypeptide(L)
strand_id	A
atom_count	2998

SKARVYADVNVLRPKEYWDYEALTVQWGEQDDYEVVRKVGRGKYSEVFEGINVNNNEKCIIKILKPVKKKKIKREIKILQNLCGGPNIVKLLDIVRDQHSKTPSLIFEYVNNTDFKVLYPTLTDYDIRYYIYELLKALDYCHSQGIMHRDVKPHNVMIDHELRKLRLIDWGLAEFYHPGKEYNVRVASRYFKGPELLVDLQDYDYSLDMWSLGCMFAGMIFRKEPFFYGHDNHDQLVKIAKVLGTDGLNVYLNKYRIELDPQLEALVGRHSRKPWLKFMNADNQHLVSPEAIDFLDKLLRYDHQERLTALEAMTHPYFQQVRAAENS

Source

organism	Zea mays
ncbi_taxonomy_id	4577
host_organism	Escherichia coli

Entity 2 non-polymer

description	MAGNESIUM ION
formula_weight	24.3 kDa
src_method	syn
entity_count	2

Entity 3 non-polymer

description	PHOSPHOAMINOPHOSPHONIC ACID-GUANYLATE ESTER
formula_weight	522.2 kDa
src_method	syn
entity_count	1

Entity 4 water

description	water
formula_weight	18.0 kDa
src_method	nat
entity_count	231

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6. Citations (4)

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length_a	142.700 Å
length_b	58.820 Å
length_c	46.180 Å
angle_alpha	90.00 °
angle_beta	103.77 °
angle_gamma	90.00 °
z_pdb	4

space_group	C 1 2 1
int_tables_number	5
crystal_system	—

resolution	2.200 Å
resolution_low	54.100 Å
r_factor	0.2230
r_work	0.2120
r_free	0.2900

fit	/app/data/saxs_computation/da/1day/1day.fit
pddf	/app/data/pr_computation/da/1day/1day.pr.out
profile	/app/data/saxs_computation/da/1day/1day.dat