4EZ7

CDK2 in complex with staurosporine and 2 molecules of 8-anilino-1-naphthalene sulfonic acid

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU MICROMAX-007 HF
Temperature [K]	93
Detector technology	CCD
Collection date	2012-04-15
Detector	RIGAKU SATURN 944+
Wavelength(s)	1.54
Spacegroup name	P 21 21 21
Unit cell lengths	53.239, 70.175, 71.781
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	19.768 - 2.490
Rwork	0.220
R-free	0.27400
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3pxf
RMSD bond length	0.007
RMSD bond angle	1.087
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	PHENIX
Refinement software	PHENIX ((phenix.refine: 1.7.3_928))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	20.000	2.540
High resolution limit [Å]	2.490	2.490
Number of reflections	9886
<I/σ(I)>	47.4	6.7
Completeness [%]	97.2	90
Redundancy	6.9	3.6

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7.5	291	5 mg/mL CDK2 protein, 50 mM sodium/potassium phosphate, pH 7.5, 50 mM HEPES, pH 7.5, 5% v/v PEG3350, 1 mM staurosporine overnight soak followed by 20 mM ANS soak (50 mM HEPES, 50 mM phosphate, 15% v/v PEG3350, 25% v/v glycerol), VAPOR DIFFUSION, HANGING DROP, temperature 291K