7UG1

CDK2 liganded with para chloro ANS

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU MICROMAX-007 HF
Temperature [K]	93
Detector technology	CCD
Collection date	2012-09-28
Detector	RIGAKU SATURN 944+
Wavelength(s)	1.54178
Spacegroup name	P 21 21 21
Unit cell lengths	53.180, 69.120, 72.200
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	19.420 - 1.840
R-factor	0.185
Rwork	0.182
R-free	0.24220
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4ez7
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	PHENIX
Refinement software	PHENIX (1.19_4092)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	19.420	1.890
High resolution limit [Å]	1.840	1.840
Rmeas	0.065	0.746
Number of reflections	22931	1416
<I/σ(I)>	27.8	2.7
Completeness [%]	96.6	81.8
Redundancy	7
CC(1/2)	1.000	0.808

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7.5	291	50 mM sodium/potassium phosphate, pH 7.5, 50 mM HEPES, pH 7.5, 5% v/v PEG3350