6HNY

Human protein kinase CK2 alpha in complex with boldine

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE MASSIF-3
Synchrotron site	ESRF
Beamline	MASSIF-3
Temperature [K]	100
Detector technology	PIXEL
Collection date	2015-12-11
Detector	DECTRIS EIGER X 4M
Wavelength(s)	0.9677
Spacegroup name	P 1 21 1
Unit cell lengths	58.513, 46.041, 63.184
Unit cell angles	90.00, 112.15, 90.00

Refinement procedure

Resolution	36.185 - 1.650
R-factor	0.1749
Rwork	0.173
R-free	0.20630
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3q04
RMSD bond length	0.005
RMSD bond angle	0.945
Data reduction software	XDS
Data scaling software	Aimless (0.3.11)
Phasing software	PHASER
Refinement software	PHENIX

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	46.040	46.040	1.680
High resolution limit [Å]	1.650	9.040	1.650
Rmerge	0.062	0.023	0.690
Rmeas	0.071	0.026	0.779
Rpim	0.033	0.012	0.356
Number of reflections	37478	252	1837
<I/σ(I)>	14.9
Completeness [%]	99.4	98.6	98.6
Redundancy	4.5	4.2	4.6
CC(1/2)	0.999	0.999	0.736

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	8.5	293	32% PEG4000, 0.2 M Lithium Sulfate