4RLK

Crystal structure of Z. mays CK2alpha in complex with the ATP-competitive inhibitor 4-[(E)-(fluoren-9-ylidenehydrazinylidene)-methyl] benzoate

Experimental procedure

Source type	SYNCHROTRON
Source details	SLS BEAMLINE X06DA
Synchrotron site	SLS
Beamline	X06DA
Temperature [K]	100
Detector technology	PIXEL
Collection date	2012-06-11
Detector	DECTRIS PILATUS 2M
Wavelength(s)	1.0
Spacegroup name	C 1 2 1
Unit cell lengths	142.748, 59.683, 44.884
Unit cell angles	90.00, 102.96, 90.00

Refinement procedure

Resolution	43.740 - 1.240
R-factor	0.1449
Rwork	0.143
R-free	0.17530
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1lp4
RMSD bond length	0.014
RMSD bond angle	1.469
Data reduction software	XDS
Data scaling software	XDS
Phasing software	PHASER
Refinement software	PHENIX ((phenix.refine: 1.9_1692))

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	43.740	43.740	1.320
High resolution limit [Å]	1.240	3.710	1.240
Rmerge	0.017	0.009	0.513
Number of reflections	103023
<I/σ(I)>	27.03	105.26	2.21
Completeness [%]	99.1	99.2	96.7
Redundancy	3.2	3.61	2.76

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7.5	293	Reservoir: 20 % PEG 4000, 0.2 M sodium acetate, 0.1 M Hepes pH 7.5, VAPOR DIFFUSION, SITTING DROP, temperature 293K