4EZ5

CDK6 (monomeric) in complex with inhibitor

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SLS BEAMLINE X10SA
Synchrotron site	SLS
Beamline	X10SA
Detector technology	CCD
Detector	MAR CCD 165 mm
Wavelength(s)	1
Spacegroup name	I 4
Unit cell lengths	102.478, 102.478, 59.987
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	19.625 - 2.700
R-factor	0.2196
Rwork	0.216
R-free	0.28700
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3nup
RMSD bond length	0.006
RMSD bond angle	0.948
Data reduction software	d*TREK
Data scaling software	d*TREK (9.9.3L)
Refinement software	PHENIX (1.7.3_928)

Data quality characteristics

	Overall
Low resolution limit [Å]	20.000
High resolution limit [Å]	2.700
Rmerge	0.086
Number of reflections	8618
<I/σ(I)>	9.8
Completeness [%]	100.0
Redundancy	7.46

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	6	298	0.1M MES pH 6.0, 12% PEG-3350, 0.1M NH4NO3, EVAPORATION, temperature 298K, VAPOR DIFFUSION, HANGING DROP