3QTW

CDK2 in complex with inhibitor RC-2-13

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU MICROMAX-007 HF
Temperature [K]	93
Detector technology	CCD
Collection date	2010-08-03
Detector	RIGAKU SATURN 944+
Spacegroup name	P 21 21 21
Unit cell lengths	53.639, 71.889, 72.591
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	18.800 - 1.850
R-factor	0.214
Rwork	0.214
R-free	0.24600
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1pw2
RMSD bond length	0.008
RMSD bond angle	1.300
Data reduction software	DENZO
Phasing software	CNS (1.2)
Refinement software	CNS (1.2)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	20.000	1.880
High resolution limit [Å]	1.850	1.850
Rmerge	0.045	0.381
Number of reflections	24400
<I/σ(I)>	41.2	4.38
Completeness [%]	99.0	99.3
Redundancy	4.4	2.7

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7.5	291	5 mg/mL CDK2 protein, 3 mM inhibitor, 15% v/v PEG3350, 50 mM HEPES/NaOH, 50 mM Na/K phosphate, pH 7.5, VAPOR DIFFUSION, HANGING DROP, temperature 291K