6L21

Crystal structure of CK2a1 H160A 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	2015-07-18
Detector	RAYONIX MX300HE
Wavelength(s)	0.98
Spacegroup name	P 21 21 21
Unit cell lengths	48.129, 78.985, 82.670
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	36.803 - 2.055
R-factor	0.170437900765
Rwork	0.168
R-free	0.22476
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3war
RMSD bond length	0.008
RMSD bond angle	1.015
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	2.090
High resolution limit [Å]	2.050	2.050
Rmerge	0.169	0.709
Number of reflections	20323	1003
<I/σ(I)>	28
Completeness [%]	100.0
Redundancy	7.2

Crystallization Conditions

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