5KCX

Pim-1 kinase in Complex with a Selective N-substituted 7-azaindole Inhibitor

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 22-BM
Synchrotron site	APS
Beamline	22-BM
Temperature [K]	93
Detector technology	CCD
Collection date	2008-11-07
Detector	MARMOSAIC 225 mm CCD
Wavelength(s)	1.0
Spacegroup name	P 65
Unit cell lengths	98.010, 98.010, 80.670
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	42.000 - 2.200
Rwork	0.190
R-free	0.21120
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	CNX
Refinement software	CNX (2005)

Data quality characteristics

	Overall
Low resolution limit [Å]	42.000
High resolution limit [Å]	2.200
Number of reflections	21552
<I/σ(I)>	14.7
Completeness [%]	96.0
Redundancy	4

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	6.5	277	protein stock: 6.26 mg/mL in Tris 20mM - DTT 5mM - NaCl 150mM - 0.5 mM inhibitor - pH8 crystallization solution: imidazole 0.1M - Na Acetate 0.6M - pH6.5 1:1 protein to solution ratio for hanging drop freezing conditions: imidazole 0.1M - Na Acetate 1M - glycerol 20% - pH6.5