5NQC

CK2alpha in complex with NMR154

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	BRUKER AXS MICROSTAR
Temperature [K]	100
Detector technology	CCD
Collection date	2012-08-28
Detector	Bruker Platinum 135
Wavelength(s)	1.5406
Spacegroup name	P 43 21 2
Unit cell lengths	71.477, 71.477, 126.266
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	28.876 - 2.000
R-factor	0.2007
Rwork	0.196
R-free	0.24720
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3q04
RMSD bond length	0.008
RMSD bond angle	1.112
Data reduction software	PROTEUM PLUS
Data scaling software	PROTEUM PLUS
Phasing software	PHENIX
Refinement software	PHENIX (1.7.3_928)

Data quality characteristics

	Overall
Low resolution limit [Å]	28.880
High resolution limit [Å]	2.000
Number of reflections	22847
<I/σ(I)>	11.91
Completeness [%]	99.7
Redundancy	7.61

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		292	0.1 M sodium tartrate pH 5.6, 2.2 M (NH4)2SO4, 0.2 M NaSCN, 5 mM TCEP, 5 mM NMR154, 5% (v/v) DMSO