5FGK

CDK8-CYCC IN COMPLEX WITH 8-[3-(3-Amino-1H-indazol-6-yl)-5-chloro- pyridine-4-yl]-2,8-diaza-spiro[4.5]decan-1-one

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SLS BEAMLINE X06SA
Synchrotron site	SLS
Beamline	X06SA
Temperature [K]	110
Detector technology	PIXEL
Collection date	2012-07-01
Detector	DECTRIS PILATUS 6M
Wavelength(s)	1.00008
Spacegroup name	P 21 21 21
Unit cell lengths	71.943, 71.928, 177.926
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	88.960 - 2.360
R-free	0.23690
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	NONE
RMSD bond length	0.011
RMSD bond angle	1.252
Data reduction software	XDS
Data scaling software	XSCALE
Refinement software	REFMAC (5.5.0109)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	88.960	2.610
High resolution limit [Å]	2.360	2.360
Rmerge	0.082	0.483
Rmeas	0.100	0.043
Total number of observations	105854
Number of reflections	38677	146
<I/σ(I)>	9.17	2.31
Completeness [%]	97.4	99.1
Redundancy	2.8	2.8

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		293	RESERVOIR SOLUTION : pH 6.90