4EZ3

CDK2 in complex with NSC 134199

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU MICROMAX-007 HF
Temperature [K]	93
Detector technology	CCD
Collection date	2012-04-29
Detector	RIGAKU SATURN 944+
Spacegroup name	P 21 21 21
Unit cell lengths	53.420, 70.390, 71.460
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	18.505 - 2.000
Rwork	0.215
R-free	0.25090
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3pxz
RMSD bond length	0.014
RMSD bond angle	1.748
Data reduction software	XDS
Data scaling software	XDS
Phasing software	PHENIX
Refinement software	PHENIX ((phenix.refine: 1.7.3_928))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	20.000	2.100
High resolution limit [Å]	2.000	2.000
Rmerge	0.070	0.359
Number of reflections	18753
<I/σ(I)>	21	6.4
Completeness [%]	99.9	99.9
Redundancy	7	7

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7.5	291	5 mg/mL CDK2 protein, 5% v/v PEG3350, 50 mM HEPES/NaOH, pH 7.5, 50 mM sodium/potassium phosphate, pH 7.5, 10 mM NSC134199 soak, VAPOR DIFFUSION, HANGING DROP, temperature 291K