3Q04

Crystal structure of the apo-form of human CK2 alpha at pH 8.5

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE ID23-1
Synchrotron site	ESRF
Beamline	ID23-1
Temperature [K]	100
Detector technology	CCD
Collection date	2008-04-30
Detector	ADSC QUANTUM 315r
Wavelength(s)	0.97625
Spacegroup name	P 1 21 1
Unit cell lengths	58.686, 46.065, 63.675
Unit cell angles	90.00, 111.51, 90.00

Refinement procedure

Resolution	59.230 - 1.800
R-factor	0.1645
Rwork	0.162
R-free	0.21630
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2pvr
RMSD bond length	0.024
RMSD bond angle	1.915
Data reduction software	MOSFLM
Data scaling software	SCALA (3.2.25)
Phasing software	PHASER
Refinement software	REFMAC

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	59.240	59.240	1.900
High resolution limit [Å]	1.800	5.690	1.800
Rmerge	0.067	0.027	0.397
Rmeas		0.032	0.467
Rpim		0.018	0.245
Total number of observations		3105	15136
Number of reflections	29505
<I/σ(I)>	17.5	36.8	5.3
Completeness [%]	99.7	94.8	99.8
Redundancy	3.5	3.3	3.6

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	8.5	293	30% PEG 4000, 0.2M lithium sulfate, 0.1M TrisHCl, pH 8.5, vapor diffusion, sitting drop, temperature 293K