2R3O

Crystal Structure of Cyclin-Dependent Kinase 2 with inhibitor

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 17-ID
Synchrotron site	APS
Beamline	17-ID
Temperature [K]	100
Detector technology	CCD
Collection date	2004-10-01
Detector	ADSC QUANTUM 210
Wavelength(s)	0.9764
Spacegroup name	P 21 21 21
Unit cell lengths	53.100, 70.220, 71.840
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	25.100 - 1.800
R-factor	0.189
Rwork	0.187
R-free	0.22700
Structure solution method	FOURIER SYNTHESIS
Data reduction software	DENZO
Data scaling software	SCALEPACK
Refinement software	BUSTER-TNT

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000	50.000	1.820
High resolution limit [Å]	1.800	6.150	1.800
Rmerge	0.046	0.028	0.504
Number of reflections	25095
<I/σ(I)>	18.4
Completeness [%]	99.2	91.5	97.7

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION	7.4	298	50 mM Na-HEPES pH 7.4, 50 mM Ammonium Acetate, 8% PEG 4000, 4% Glycerol, 1 mM TCEP, vapor diffusion, temperature 298K