4MD8

Crystal Structure of full-length symmetric CK2 holoenzyme with mutated alpha subunit (F121E)

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ELETTRA BEAMLINE 5.2R
Synchrotron site	ELETTRA
Beamline	5.2R
Temperature [K]	100
Detector technology	PIXEL
Collection date	2011-11-29
Detector	DECTRIS PILATUS 2M
Wavelength(s)	1.00
Spacegroup name	P 1 21 1
Unit cell lengths	141.518, 57.625, 185.685
Unit cell angles	90.00, 102.60, 90.00

Refinement procedure

Resolution	181.213 - 3.300
R-factor	0.2231
Rwork	0.222
R-free	0.24870
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	PDB ENTRIES 4DGL AND 4KWP
RMSD bond length	0.013
RMSD bond angle	1.612
Data scaling software	SCALA (3.3.20)
Phasing software	PHASER
Refinement software	REFMAC

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	181.213	47.645	3.480
High resolution limit [Å]	3.300	10.440	3.300
Rmerge		0.044	0.568
Total number of observations		9437	38989
Number of reflections	44221
<I/σ(I)>	10.9	14.5	1.4
Completeness [%]	98.8	97.8	97.6
Redundancy	6.5	6.3	6.2

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION	6.5	277	20% PEG3350, 0.2 M ammonium citrate, pH 6.5, VAPOR DIFFUSION, temperature 277K