3TIY

CDK2 in complex with NSC 35676

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU MICROMAX-007 HF
Temperature [K]	93
Detector technology	CCD
Collection date	2011-05-10
Detector	RIGAKU SATURN 944+
Spacegroup name	P 21 21 21
Unit cell lengths	53.470, 71.990, 72.310
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	18.755 - 1.840
Rwork	0.184
R-free	0.22420
RMSD bond length	0.009
RMSD bond angle	1.283
Data reduction software	XDS
Data scaling software	XDS
Phasing software	PHENIX
Refinement software	PHENIX ((phenix.refine: 1.7_650))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	20.000	1.900
High resolution limit [Å]	1.840	1.840
Rmerge	0.044	0.235
Number of reflections	24419
<I/σ(I)>	34.7	7.6
Completeness [%]	98.2	93.2
Redundancy	4.6	3.4

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7.5	291	5 mg/mL CDK2 protein, 1.5 mM NSC 35676, 15% (v/v) Jeffamine ED-2001 (pH 7.5), 100 mM HEPES/NaOH VAPOR DIFFUSION, HANGING DROP, TEMPERATURE 291K