5ZN0

Joint X-ray/neutron structure of protein kinase ck2 alpha subunit

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	PHOTON FACTORY BEAMLINE BL-5A
Synchrotron site	Photon Factory
Beamline	BL-5A
Temperature [K]	100
Detector technology	CCD
Collection date	2014-02-04
Detector	ADSC QUANTUM 315
Wavelength(s)	1.000
Spacegroup name	P 1 21 1
Unit cell lengths	58.604, 45.442, 63.612
Unit cell angles	90.00, 111.83, 90.00

Refinement procedure

Resolution	33.760 - 1.900
R-factor	0.191
Rwork	0.188
R-free	0.24700
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3war
RMSD bond length	0.008
RMSD bond angle	1.088
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	PHASER
Refinement software	PHENIX (1.9_1692)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	36.000	1.970	1.140
High resolution limit [Å]	1.100	1.900	1.100
Rmerge	0.038	0.451	0.399
Number of reflections	126644
<I/σ(I)>	21.3	1.6	4.3
Completeness [%]	99.9	89	99.9
Redundancy	5	1.6	3.4

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION	8.5	293	0.1M Tris-HCl, 0.85M ammonium sulfate, 5% acetonitrile, 2mM DTT
1	VAPOR DIFFUSION	8.5	293	0.1M Tris-HCl, 0.85M ammonium sulfate, 5% acetonitrile, 2mM DTT