4I6B

Selective & Brain-Permeable Polo-like Kinase-2 (Plk-2) Inhibitors that Reduce -Synuclein Phosphorylation in Rat Brain

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ALS BEAMLINE 5.0.2
Synchrotron site	ALS
Beamline	5.0.2
Temperature [K]	100
Detector technology	CCD
Collection date	2010-01-30
Detector	ADSC QUANTUM 315r
Wavelength(s)	0.9788
Spacegroup name	C 1 2 1
Unit cell lengths	103.844, 60.094, 52.943
Unit cell angles	90.00, 106.72, 90.00

Refinement procedure

Resolution	33.690 - 1.800
R-factor	0.23435
Rwork	0.231
R-free	0.29047
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.012
RMSD bond angle	1.824
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	AMoRE
Refinement software	REFMAC (5.2.0019)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	33.700	1.847
High resolution limit [Å]	1.800	1.800
Number of reflections	22518
Completeness [%]	81.6	24.2

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	EVAPORATION	5.5	277	0.1 M Bis-Tris, 0.8 M sodium formate, 19% PEG 3350, pH 5.5, EVAPORATION, temperature 277K