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1ds5

;DIMERIC CRYSTAL STRUCTURE OF THE ALPHA SUBUNIT IN COMPLEX WITH TWO BETA PEPTIDES MIMICKING THE ARCHITECTURE OF THE TETRAMERIC PROTEIN KINASE CK2 HOLOENZYME. ;

Method: X-RAY DIFFRACTION D_max: 104.4 Å Quality: EXCELLENT

SAXS Profile

P(r) Distribution

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1. Structure Basics

entry_id	1ds5
deposition_date	2000-01-07
title	;DIMERIC CRYSTAL STRUCTURE OF THE ALPHA SUBUNIT IN COMPLEX WITH TWO BETA PEPTIDES MIMICKING THE ARCHITECTURE OF THE TETRAMERIC PROTEIN KINASE CK2 HOLOENZYME. ;
keywords	protein-complex, tetramer, 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	35.07 Å
rg_electron	34.02 Å
i0	396503000.00
molecular_weight	164310.0 kDa
excluded_volume	207150 Å³
envelope_volume	260000 Å³
shell_volume	61446 Å³
envelope_diameter	108.8 Å
shell_rg	42.61 Å
envelope_rg	32.96 Å
shape_rg	34.03 Å
total_rg	34.62 Å
total_atoms	11595
n_residues	1378
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	104.4 Å
rg_real	34.82 Å
rg_real_error	0.51 Å
i0_real	3.9650e+08
i0_real_error	5.3230e+06
rg_reciprocal	34.98 Å
i0_reciprocal	396600000.0000
total_estimate	0.9039
solution_quality	EXCELLENT a EXCELLENT solution
n_peaks	1
r_peak_primary	46.4 Å
skewness	0.028
kurtosis	-0.574
angular_range	— – 0.2250 Å⁻¹
current_alpha	0.0000
highest_alpha	82150000.0000
n_real_points	46
gnom_version	4.1.3
quality_criteria	AN1: 0.000; Oscil: 0.948; Stabil: 1.000; Sysdev: 1.000; Positv: 1.000; Valcen: 0.969; Smooth: 0.934

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4. Crystallography & Experiment

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5. Entities & Polymer Info (5)

Entity 1 polymer

description	CASEIN KINASE, ALPHA CHAIN
formula_weight	39291.2 kDa
ec_number	2.7.1.37
src_method	man
entity_count	4

Polymer

type	polypeptide(L)
strand_id	A,B,C,D
atom_count	11932

MSKARVYADVNVLRPKEYWDYEALTVQWGEQDDYEVVRKVGRGKYSEVFEGINVNNNEKCIIKILKPVKKKKIKREIKILQNLCGGPNIVKLLDIVRDQHSKTPSLIFEYVNNTDFKVLYPTLTDYDIRYYIYELLKALDYCHSQGIMHRDVKPHNVMIDHELRKLRLIDWGLAEFYHPGKEYNVRVASRYFKGPELLVDLQDYDYSLDMWSLGCMFAGMIFRKEPFFYGHDNHDQLVKIAKVLGTDGLNVYLNKYRIELDPQLEALVGRHSRKPWLKFMNADNQHLVSPEAIDFLDKLLRYDHQERLTALEAMTHPYFQQVRAAENSRTRA

Source

organism	Zea mays
ncbi_taxonomy_id	4577
host_organism	Escherichia coli

Entity 2 polymer

description	CASEIN KINASE, BETA CHAIN
formula_weight	2766.2 kDa
ec_number	2.7.1.37
src_method	syn
entity_count	4

Polymer

type	polypeptide(L)
strand_id	E,F,G,H

NQFVPRLYGFKIHPMAYQLQLQA

Entity 3 non-polymer

description	ADENOSINE MONOPHOSPHATE
formula_weight	347.2 kDa
src_method	syn
entity_count	4

Entity 4 non-polymer

description	MAGNESIUM ION
formula_weight	24.3 kDa
src_method	syn
entity_count	4

Entity 5 water

description	water
formula_weight	18.0 kDa
src_method	nat
entity_count	337

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6. Citations (2)

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length_a	87.681 Å
length_b	119.846 Å
length_c	145.560 Å
angle_alpha	90.00 °
angle_beta	90.00 °
angle_gamma	90.00 °
z_pdb	16

space_group	P 21 21 21
int_tables_number	19
crystal_system	—

resolution	3.160 Å
resolution_low	45.000 Å
r_factor	—
r_work	0.2140
r_free	0.2890

fit	/app/data/saxs_computation/ds/1ds5/1ds5.fit
pddf	/app/data/pr_computation/ds/1ds5/1ds5.pr.out
profile	/app/data/saxs_computation/ds/1ds5/1ds5.dat

;DIMERIC CRYSTAL STRUCTURE OF THE ALPHA SUBUNIT IN COMPLEX WITH TWO BETA PEPTIDES MIMICKING THE ARCHITECTURE OF THE TETRAMERIC PROTEIN KINASE CK2 HOLOENZYME. ;

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

5. Entities & Polymer Info (5)

Entity 1 polymer

Polymer

Source

Entity 2 polymer

Polymer

Entity 3 non-polymer

Entity 4 non-polymer

Entity 5 water

6. Citations (2)

7. Files & Curves (10)

Files (7)

Curves (3)