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1daw

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

Method: X-RAY DIFFRACTION D_max: 68.4 Å Quality: GOOD

SAXS Profile

P(r) Distribution

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1. Structure Basics

entry_id	1daw
deposition_date	1999-11-01
title	CRYSTAL STRUCTURE OF A BINARY COMPLEX OF PROTEIN KINASE CK2 (ALPHA-SUBUNIT) AND MG-AMPPNP
keywords	PROTEIN KINASE CK2, DUAL-COSUBSTRATE SPECIFICITY, BINARY COMPLEX, 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	21.39 Å
rg_electron	20.25 Å
i0	25564900.00
molecular_weight	39170.0 kDa
excluded_volume	49199 Å³
envelope_volume	55989 Å³
shell_volume	22816 Å³
envelope_diameter	69.2 Å
shell_rg	27.20 Å
envelope_rg	20.62 Å
shape_rg	20.25 Å
total_rg	21.12 Å
total_atoms	2761
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	68.4 Å
rg_real	21.30 Å
rg_real_error	0.36 Å
i0_real	2.5560e+07
i0_real_error	3.3960e+05
rg_reciprocal	21.32 Å
i0_reciprocal	25570000.0000
total_estimate	0.8951
solution_quality	GOOD a GOOD solution
n_peaks	2
r_peak_primary	25.1 Å
skewness	0.263
kurtosis	-0.330
angular_range	— – 0.3700 Å⁻¹
current_alpha	0.0000
highest_alpha	5719000.0000
n_real_points	69
gnom_version	4.1.3
quality_criteria	AN1: 0.000; Oscil: 0.883; Stabil: 1.000; Sysdev: 1.000; Positv: 1.000; Valcen: 1.000; Smooth: 0.984

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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	3051

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-ADENYLATE ESTER
formula_weight	506.2 kDa
src_method	syn
entity_count	1

Entity 4 water

description	water
formula_weight	18.0 kDa
src_method	nat
entity_count	285

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6. Citations (4)

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length_a	143.110 Å
length_b	59.200 Å
length_c	45.810 Å
angle_alpha	90.00 °
angle_beta	103.56 °
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	69.000 Å
r_factor	0.2230
r_work	0.2120
r_free	0.2850

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

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

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