6L23

Crystal structure of CK2a1 V116I with hematein

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SPRING-8 BEAMLINE BL44XU
Synchrotron site	SPring-8
Beamline	BL44XU
Temperature [K]	95
Detector technology	CCD
Collection date	2015-11-21
Detector	RAYONIX MX300HE
Wavelength(s)	1.0
Spacegroup name	P 21 21 21
Unit cell lengths	51.861, 79.021, 79.775
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	38.095 - 1.974
R-factor	0.181669755913
Rwork	0.179
R-free	0.22873
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3war
RMSD bond length	0.008
RMSD bond angle	1.110
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	PHASER
Refinement software	PHENIX (1.9_1692+SVN)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	2.000
High resolution limit [Å]	1.970	1.970
Rmerge	0.114	0.650
Number of reflections	23632	2214
<I/σ(I)>	50.3
Completeness [%]	99.9
Redundancy	3.9

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		277	Ethylene glycol