5CEI

Crystal structure of CDK8:Cyclin C complex with compound 22

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SLS BEAMLINE X06SA
Synchrotron site	SLS
Beamline	X06SA
Temperature [K]	93
Detector technology	PIXEL
Collection date	2012-02-02
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.999996
Spacegroup name	P 21 21 21
Unit cell lengths	71.128, 70.090, 167.448
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	47.843 - 2.240
R-factor	0.175
Rwork	0.173
R-free	0.22670
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.007
RMSD bond angle	0.975
Data reduction software	XDS
Data scaling software	SCALA (3.3.16)
Phasing software	PHASER
Refinement software	PHENIX

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	47.843	47.843	2.450
High resolution limit [Å]	2.240	5.480	2.240
Rmerge		0.066	0.449
Rmeas	0.130
Rpim	0.060	0.035	0.302
Total number of observations	167682	11791	39718
Number of reflections	40329
<I/σ(I)>	5.7	10.4	2.3
Completeness [%]	98.4	96.3	98.6
Redundancy	4.2	4.1	4.2

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		293	20% PEG 3350 and 0.20 M sodium formate